Tag: 200-300

Synthesis of Aliphatic Hyperbranched Polycarbonates via Organo-Catalyzed “A₁+B₂“-Ring-Opening Polymerization was written by Wang, Chengliang;Zhang, Xu;Zhao, Wei;Liu, Xin;Wang, Qingfu;Sun, Jingjiang. And the article was included in Macromolecules (Washington, DC, United States) in 2022.Synthetic Route of C13H10O3 The following contents are mentioned in the article:

Hyperbranched aliphatic polycarbonates (HBPCs) have attracted significant attention in the field of biomedical application owing to their abundant end groups, biocompatibility, and nontoxic degradation products. However, their practical application is hampered by tedious synthesis procedures. The present work described a novel organo-catalyzed “A₁+B₂“-ring-opening polymerization (ROP) using a monofunctional primary alc. (A₁) as an initiator and a bicyclic carbonate monomer (B₂) for the straightforward synthesis of HBPCs under mild conditions. No gelation was observed up to 90% conversion of the cyclic carbonate ring. HBPCs with molar masses in the range from 7 to 20 kg/mol were obtained. Based on the “A₁+B₂“-ROP, HBPCs bearing a variety of functionalities including alkene, alkyne, aldehyde, furan, azide, and mPEG groups, which are of great significance in the field of click chem., have been successfully prepared by using functional alc. initiators. This polymerization strategy allowed for precise control over the HBPC structure: (1) the hyperbranched polymer (HBP) backbone can be adjusted by design of a bicyclic carbonate monomer with various linkages; (2) the use of an appropriate initiator leads to the introduction of functional end groups. Overall, the “A₁+B₂“-ROP provides an efficient method for preparing a variety of HBPs like hyperbranched polyester, polyether, polyphosphate, and poly(amino acid) with complex architectures in a single step. This study involved multiple reactions and reactants, such as Diphenyl carbonate (cas: 102-09-0Synthetic Route of C13H10O3).

Diphenyl carbonate (cas: 102-09-0) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Synthetic Route of C13H10O3

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Synthesis and characterization of AMO LDH-derived mixed oxides with various Mg/Al ratios as acid-basic catalysts for esterification of benzoic acid with 2-ethylhexanol was written by Kuljiraseth, J.;Wangriya, A.;Malones, J. M. C.;Klysubun, W.;Jitkarnka, S.. And the article was included in Applied Catalysis, B: Environmental in 2019.Safety of 2-Ethylhexyl benzoate The following contents are mentioned in the article:

Proven to possess distinguishable phys. and acid-base properties superior to conventional LDHs, aqueous miscible organic solvent-layered double hydroxides (AMO-LDHs) were thus synthesized and used as precursors to prepare the Mg/Al mixed oxide catalysts in this work. The AMO-LDH based oxide catalysts with various ratios of Mg/Al were studied for the chem. and phys. properties and the activity on esterification of benzoic acid with 2-ethylhexanol. The catalysts were characterized using BET, XRD, TGA, and XPS. Moreover, the acid-base properties were studied. As a result, the Mg/Al mixed oxides after calcination at 500 °C still had the clay structure, and were found to possess both acid and base sites. As the Mg/Al ratio increased, the total d. of acid and basic sites decreased. Moreover, the acid-basic strength depended on their phase compositions and coordination number The activity of calcined LDHs catalysts was tested for the esterification of benzoic acid with 2-ethylhexanol, aimed at producing 2-ethylhexyl benzoate as the desired chem. The products were analyzed using GC-MS/TOF. In summary, the conversion of benzoic acid was enhanced significantly using the Mg-Al mixed oxides as the catalysts, owing to the acid-base sites (both Mg²⁺-O^2- and Al³⁺-O^2- pairs) of the catalysts. The catalyst with the Mg/Al ratio of 4:1 can convert 66% benzoic acid to 2-ethylhexyl benzoate. Moreover, the other products were composed of 2-ethylhexanal, 3-heptanone, and 3-heptanol because of acid-base pairs. This study involved multiple reactions and reactants, such as 2-Ethylhexyl benzoate (cas: 5444-75-7Safety of 2-Ethylhexyl benzoate).

2-Ethylhexyl benzoate (cas: 5444-75-7) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Safety of 2-Ethylhexyl benzoate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Transparent PC/PMMA Blends with Enhanced Mechanical Properties via Reactive Compounding of Functionalized Polymers was written by Bubmann, Tobias;Seidel, Andreas;Ruckdaeschel, Holger;Altstaedt, Volker. And the article was included in Polymers (Basel, Switzerland) in 2022.Name: Diphenyl carbonate The following contents are mentioned in the article:

Reactive compounding of terminally phenolic OH-functionalized polycarbonate (PC) with epoxy-functionalized polymethylmethacrylate (PMMA) prepared by copolymerization with glycidyl methacrylate was investigated. It was spectroscopically demonstrated that a PC/PMMA copolymer was formed during the melt reaction of the functional groups. Zirconium acetylacetonate could catalytically accelerate this reaction. Correlations of the phenomenol. (optical and mech.) properties with the mol. level and mesoscopic (morphol.) structure were discussed. By the investigated reactive compounding process, transparent PC/PMMA blends with two-phase morphologies were obtained in a continuous twin-screw extruder, which, for the first time, combined the high transmission of visible light with excellent mech. performance (e.g., synergistically improved tensile and flexural strength and high scratch resistance). The transparency strongly depended on (a) the degree of functionalization in both PC and PMMA, (b) the presence of the catalyst, and (c) the residence time of the compounding process. The in-situ-formed PC/PMMA copolymer influenced the observed macroscopic properties by (a) a decrease in the interphase tension, leading to improved and stabilized phase dispersion, (b) the formation of a continuous gradient of the polymer composition and thus of the optical refractive indexes in a diffuse mesoscopic interphase layer separating the PC and PMMA phases, and (c) an increase in the phase adhesion between PC and PMMA due to mech. polymer chain entanglement in this interphase. This study involved multiple reactions and reactants, such as Diphenyl carbonate (cas: 102-09-0Name: Diphenyl carbonate).

Diphenyl carbonate (cas: 102-09-0) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Name: Diphenyl carbonate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Detection of prohibited treatment products on racing tires using headspace solid phase microextraction (SPME) and gas chromatography/mass spectrometry (GC/MS) was written by Kranz, W. D.;Carroll, C. J.;Goodpaster, J. V.. And the article was included in Analytical Methods in 2016.Electric Literature of C15H22O2 The following contents are mentioned in the article:

A variety of com. tire treatments are available that purport to help automobile tires better cling to the surface of a road or racetrack, raising concerns in the professional racing community that such products might be used to illicitly boost performance in competitive events. These tire treatments are reputed to cut lap times and improve handling and maneuverability. In some cases, the manufacturers even boast that their products are “undetectable” (i.e., impervious to the scrutiny of laboratory testing). In this study, a number of banned tire treatment products were evaluated principally by gas chromatog.-mass spectrometry (GC-MS) using solid phase microextraction (SPME) as a pre-concentration technique. The chems. off-gassed by each product were determined and grouped into two broad categories: ‘plasticizer-based’ tire treatment products and ‘hydrocarbon-based’ tire treatment products. This information was then applied to the anal. of genuine tire samples provided by the United States Auto Club (USAC), a professional racing association Over the course of one year, 10 out of the 71 questioned samples tested pos. for a prohibited treatment product. The manufacturers’ claims regarding their products’ invisibility to lab tests were largely proven to be unfounded: both the products themselves and the tires treated with them can be identified by a number of characteristic volatile compounds These included known plasticizers such as pentanedioic acid di-Et ester, plasticizer-related compounds such as 2-ethyl-1-hexanol, and dearomatized distillates. This study involved multiple reactions and reactants, such as 2-Ethylhexyl benzoate (cas: 5444-75-7Electric Literature of C15H22O2).

2-Ethylhexyl benzoate (cas: 5444-75-7) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Electric Literature of C15H22O2

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Screening of ToxCast Chemicals Responsible for Human Adverse Outcomes with Exposure to Ambient Air was written by Qiao, Lin;Gao, Lirong;Huang, Di;Liu, Yang;Xu, Chi;Li, Da;Zheng, Minghui. And the article was included in Environmental Science & Technology in 2022.Synthetic Route of C15H22O2 The following contents are mentioned in the article:

Air pollution poses a major threat to global public health. Although there have been a few investigations into the relationships between organic pollutants and adverse outcomes, the responsible components and mol. mechanisms may be ignored. In this study, a suspect screening method combining comprehensive two-dimensional gas chromatog. – time-of-flight mass spectrometry (GC x GC-TOFMS) with Toxicity Forecaster (ToxCast) database was applied to analyze complex hydrophobic compounds in ambient air and prospectively figure out toxicol. significant compounds 76 ToxCast compounds were screened, including 7 pollutants receiving less attention and 5 chems. never published in the air previously. Given the concentrations, bioactivities, as well as absorption, distribution, metabolism, and excretion properties in vivo, 29 contaminants were assigned high priority since they had active biol. effects in the vascular, lung, liver, kidney, prostate and bone tissues. Phenotypic linkages of key pollutants to potential mechanistic pathways were explored by systems toxicol. A total of 267 chem.-effect pathways involving 29 toxicants and 31 mol. targets were mapped in bipartite network, in which 12 key pathogenic pathways were clarified, which not only provided the evidence supporting previous hypothesis but also provided new insights into the mol. targets. The results would facilitate the development of pollutant priority control, population intervention and clin. therapeutic strategies so as to substantially reduce human health hazards induced by urban air. This study involved multiple reactions and reactants, such as 2-Ethylhexyl benzoate (cas: 5444-75-7Synthetic Route of C15H22O2).

2-Ethylhexyl benzoate (cas: 5444-75-7) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Synthetic Route of C15H22O2

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

A smart paper@polyaniline nanofibers incorporated vitrimer bifunctional device with reshaping, shape-memory and self-healing properties applied in high-performance supercapacitors and sensors was written by Xiong, Chuanyin;Li, Mengrui;Zhao, Wei;Duan, Chao;Dai, Lei;Shen, Mengxia;Xu, Yongjian;Ni, Yonghao. And the article was included in Chemical Engineering Journal (Amsterdam, Netherlands) in 2020.Formula: C13H10O3 The following contents are mentioned in the article:

Smart devices based on paper-based composite materials are attracting increasing attention for applications in wearable and flexible energy storage and strain sensors, due to their outstanding flexibility and light weight properties. Although the paper materials are modified by various methods to overcome the shortcomings of poor conductivity and obtain various smart properties, the functionalized paper-based materials generally have poor swelling, mech. strength and cycle stability in the electrochem. process, which seriously affects the application of paper-based devices in energy storage. Herein, for the first time a new class of sym. integrated smart paper-based supercapacitors with binder-free was fabricated by incorporating vitrimer (V) into original paper with pencil-drawing (OPD) loading polyaniline nanofibers (PN). The resultant OPD@PN-V supercapacitor show high gravimetric and areal specific energy d. of 56 Wh kg^-1 and 785μWh cm^-2 and simultaneously maintains high gravimetric and areal specific power d. of 78 kW kg^-1 and 286 mW cm^-2, substantially surpassing the performance of conventional supercapacitors device with separator. More importantly, the introduction of vitrimer greatly enhances the cycle stability of the supercapacitor, and the supercapacitor also displays good reshaping, shape-memory and self-healing properties, which greatly broadens the application scenarios of supercapacitors. Besides, the OPD@PN-V device also shows a great potential in detecting the movement of human. This study involved multiple reactions and reactants, such as Diphenyl carbonate (cas: 102-09-0Formula: C13H10O3).

Diphenyl carbonate (cas: 102-09-0) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Formula: C13H10O3

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Tailor-made chalcogen-rich polycarbonates: experimental and computational insights into chalcogen group-dependent ring opening polymerization was written by Wei, Chao;Lian, Cheng;Yan, Bingkun;Xiao, Yan;Lang, Meidong;Liu, Honglai. And the article was included in Polymer Chemistry in 2020.Category: esters-buliding-blocks The following contents are mentioned in the article:

The critical role of abundant chalcogens (with variable types and valences) located in polymer backbones on the properties, functions and bioactivities of final materials underscores the pressing need for versatile and controlled synthetic platforms towards chalcogen-rich polymers. Herein, we reported a universal and robust approach to generate a poly(chalcogen-carbonate) library using com. available organic base-catalyzed ring opening polymerization (ROP) of macrocarbonates containing chalcogen groups. Polymerizations have unique advantages including high control, fast kinetics, mild reaction conditions at room temperature and compatible operation for different monomers. Furthermore, ROP depends sensitively on chalcogen groups, where thioether (-S-), selenide (-Se-) and disulfide (-SS-)-substituted monomers polymerize readily, while the diselenide (-SeSe-) substituted one is difficult to polymerize. A d. functional theory (DFT)-combined exptl. study provided abundant mechanism insights and illuminated the structure/composition-kinetic relationships to rationalize the observed polymerization trends. Polymerization kinetics was gradually suppressed with chalcogen groups evolving from -S-, -Se-, -SS- to -SeSe-, which may offer a powerful support to forecast the polymerization behaviors of other chalcogen-based monomers. This work not only describes a convenient and efficient strategy for chalcogen-rich polymeric materials, but also provides important insights for understanding the influence of chalcogen groups on polymerization behaviors. This study involved multiple reactions and reactants, such as Diphenyl carbonate (cas: 102-09-0Category: esters-buliding-blocks).

Diphenyl carbonate (cas: 102-09-0) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Category: esters-buliding-blocks

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Synthesis of bio-based poly(oligoethylene glycols-co-isosorbide carbonate)s with high molecular weight and enhanced mechanical properties via ionic liquid catalyst was written by Li, Chenhao;Zhang, Zhencai;Yang, Zifeng;Fang, Wenjuan;An, Hongzhe;Li, Tao;Xu, Fei. And the article was included in Reactive & Functional Polymers in 2020.Reference of 102-09-0 The following contents are mentioned in the article:

As a kind of bio-based platform chems. derived from renewable resource glucose, isosorbide (ISB) is considered the perfect candidate for the synthesis of polycarbonate (PC) to replace chronic toxic bisphenol A (BPA) due to its attractive rigidity, non-toxicity and chirality. However, synthesis of poly(isosorbide carbonate) (PIC) with high mol. weight and excellent mech. properties is one of tremendous challenges due to low internal hydroxyl group activity and poor structural flexibility of ISB. Herein, we developed a new series of ISB-based copolycarbonates with intriguing properties through incorporating flexibility moiety oligoethylene glycols (OEG) into PIC. By employing bifunctional 1-butyl-3-methylimidazolium lactate IL catalyst, copolycarbonates with high weight-average mol. weight ranging from 94,700 to 146,200 were synthesized via efficient dual activation effect on the carbonyl group in di-Ph carbonate and the hydroxyl group in ISB. Among of them, poly(diethylene glycol-co-isosorbide carbonate) (PDIC) possessed excellent mol. flexibility and showed the best mech. performance with average value of the elongation at break as high as 160%, which was eight times more than PIC prepared (18%) and much higher than the com. BPA-based PC (around 100%). Simultaneously, PDIC showed a 1.25-fold higher tensile strength (80 MPa) than that of BPA-based PC with 63 MPa. This implied that bio-derived copolycarbonates developed in this research effectively enhanced the ductility and processability of PIC and possessed enormous prospect for the industrial application. This study involved multiple reactions and reactants, such as Diphenyl carbonate (cas: 102-09-0Reference of 102-09-0).

Diphenyl carbonate (cas: 102-09-0) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Reference of 102-09-0

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Viscous Calibration Liquids for Self-Diffusion Measurements was written by Harris, Kenneth R.;Ganbold, Batchimeg;Price, William S.. And the article was included in Journal of Chemical & Engineering Data in 2015.Computed Properties of C15H22O2 The following contents are mentioned in the article:

Self-diffusion measurements made by steady or pulsed field gradient spin-echo NMR are not absolute and the magnetic field gradients employed must normally be determined by calibration with liquids with known self-diffusion coefficients The primary calibrant is water, with self-diffusion coefficient values having been extrapolated from the tracer diffusion of HDO and of HTO in ordinary water by Mills, with a relative standard uncertainty of 0.2 %. This and other liquids presently used for calibration all have low viscosities. Current work on ionic liquids, which are generally quite viscous, suggests there may be problems with the pulsed field gradient (PGSE) techniques usually employed as results dependent on the time interval between gradient pulses have been reported by Hayamizu et al. In this work, self-diffusion coefficients, obtained by a steady gradient (SG) technique, are reported for the viscous mol. liquids squalane, ethylhexyl benzoate, and bis(ethylhexyl) phthalate (DEHP), and it is suggested that these substances may be suitable secondary reference materials for the calibration of spin-echo NMR apparatus when self-diffusion in viscous liquids is to be measured. New PGSE measurements for squalane and DEHP are in good agreement with the SG results. We also report on systematic errors found in the secondary calibration data of Holz et al. for cyclohexane, n-dodecane, DMSO, and pentan-1-ol (though not for 1,4-dioxane) and suggest toluene in their place as a more convenient low-viscosity calibrant that is also suitable for low temperature work. This study involved multiple reactions and reactants, such as 2-Ethylhexyl benzoate (cas: 5444-75-7Computed Properties of C15H22O2).

2-Ethylhexyl benzoate (cas: 5444-75-7) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Computed Properties of C15H22O2

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

High-Pressure Raman Noncoincidence Effect and Conformation of Alkyl Side Chain in Alkyl Benzoates was written by Slager, Vivian L.;Chang, Hai-Chou;Kim, Yoo Joong;Jonas, Jiri. And the article was included in Journal of Physical Chemistry B in 1997.Category: esters-buliding-blocks The following contents are mentioned in the article:

The Raman noncoincidence effect has been used to investigate the changes in intermol. interactions induced by applying high pressure to neat liquid alkyl benzoates. The noncoincidence of the carbonyl band of a homologous series of straight chain alkyl benzoates (Me, Et, Pr, Bu, and hexyl benzoate) and a branched chain alkyl benzoate (2-ethylhexyl benzoate) was measured at 20 and 40 °C over the pressure range 1-5000 bar. The d. was measured as a function of pressure for all mols. A transition point dividing the noncoincidence behavior as a function of d. into two regions was found, for all mols. except Me benzoate. Below the transition point, at lower d., the noncoincidence value was relatively insensitive to changes in d., while above the transition point, the noncoincidence value dropped sharply with increasing d. The decrease in the value of noncoincidence above the transition point was interpreted as the change in intermol. interactions resulting from the conformational change in favor of a “folded” form of the alkyl side chain shielding the carbonyl group. To examine the plausibility of the presence of energetically allowable conformations with a folded alkyl side chain, conformational searches based on mol. mechanics calculations have also been performed. The strain energy of some alkyl benzoate conformers with folded side chain was calculated to be within a few kcal/mol of the global min. conformation. Both the exptl. results and the conformational anal. suggest that the population of the folded conformer increases under high-pressure conditions owing to its compactness. This study involved multiple reactions and reactants, such as 2-Ethylhexyl benzoate (cas: 5444-75-7Category: esters-buliding-blocks).

2-Ethylhexyl benzoate (cas: 5444-75-7) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Category: esters-buliding-blocks

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics