Category: esters-buliding-blocks

Preparation of doubly responsive polymer functionalized silica hybrid nanoparticles via a one-pot thiol-isocyanate click reaction at room temperature was written by Ou, Baoli;Huang, Rao;Zhou, Hu;Li, Zhengfeng;Chen, Lijuan;Zhou, Zhihua;Li, Duxin. And the article was included in Polymer Composites in 2017.Safety of Benzyl benzodithioate This article mentions the following:

Well-defined poly(N-isopropylacrylamide) and poly(2-(diethylamino) Et methacrylate) were synthesized first by a reversible addition-fragmentation chain transfer process. These polymers were then reduced to generate an end thiol group to react with isocyanate groups on the surface of silica nanoparticles, which were pretreated with toluene-2,4-diisocyanate, by a one-pot “click” reaction to prepare temperature and pH responsive polymer functionalized hybrid silica nanoparticles. The polymer functionalized silica hybrid nanoparticles were characterized by a range of techniques such as Fourier transform IR spectroscopy and dynamic light scattering. The doubly responsive polymer functionalized silica hybrid nanoparticles show both temperature and pH responsive behavior and their solution properties were dependent on the ratio of the two polymers on the surface of silica. Covalent functionalization of the silica nanoparticle with well-defined temperature and pH responsive polymers was accomplished via a one-pot thiol-isocyanate click reaction. This reaction was found to be extremely efficient in producing doubly responsive polymer functionalized silica hybrid nanoparticle, even at relatively low reaction temperature and short reaction time. Thermogravimetric anal. indicated that the same ratio of poly(N-isopropylacrylamide) and poly(2-(diethylamino)ethyl methacrylate) functionalized silica hybrid nanoparticle consisted of 42.46 wt% polymer. In the experiment, the researchers used many compounds, for example, Benzyl benzodithioate (cas: 27249-90-7Safety of Benzyl benzodithioate).

Benzyl benzodithioate (cas: 27249-90-7) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. 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. Safety of Benzyl benzodithioate

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

Non-targeted identification of unknown chemical hazardous substances in infant teether toys by gas chromatography-Orbitrap high resolution mass spectrometry was written by Liu, Yahui;Tong, Lili;Si, Nianpeng;Xing, Jiangtao;Zhang, Qing;Ma, Qiang;Lv, Qing. And the article was included in Ecotoxicology and Environmental Safety in 2021.Reference of 106-79-6 This article mentions the following:

Chem. hazardous substances in teethers may migrate into infant’s body through oral exposure, resulting in a potential health risk. In recent years, researchers have performed a series of studies for detecting target chems. in teethers and other toys, but the presence of unknown chems. has not been systematically investigated yet. This paper reports the non-targeted identification of unknown chem. hazards that may have migrated from teethers to infants based on gas chromatog.-Orbitrap high resolution mass spectrometry. In view of the difficulties that may be encountered in the qual. anal. of substances, several typical cases and the corresponding reliable solutions are given from the perspective of comprehensive score and retention index, isotope-aided qual. anal., chem. ionization identification formula, and fragment ion detail comparison for distinguishing isomers. Finally, 28 substances are identified in 10 teether samples. Among them, phenol, N-methylaniline, 1,6-dioxacyclododecane-7,12-dione and cyclohexanone have higher detection rates. This study not only has valuable reference for the identification of unknown substances, but also has pos. guiding role in monitoring potential chem. hazards in toys and promoting the safety of products. In the experiment, the researchers used many compounds, for example, Dimethyl decanedioate (cas: 106-79-6Reference of 106-79-6).

Dimethyl decanedioate (cas: 106-79-6) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. 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 106-79-6

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

Cationic Palladium-Catalyzed Hydrosilylative Cross-Coupling of Alkynes with Alkenes was written by Shimamoto, Takamitsu;Chimori, Motoharu;Sogawa, Hiroaki;Yamamoto, Keiji. And the article was included in Journal of the American Chemical Society in 2005.Reference of 17920-23-9 This article mentions the following:

A cationic palladium complex-catalyzed cross-coupling of alkynes with alkenes is presented, which occurs selectively under the hydrosilylation conditions using trichlorosilane. The unique reaction might be well understood in terms of an initial hydropalladation of a given 1-alkyne to form regioselectively a 1-alkenylpalladium species, which, in turn, undergoes easily and specifically an alkene insertion. The resulting homoallylic organopalladium species terminates one catalytic cycle by substituting the palladium center with a trichlorosilyl group to give product(s). In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9Reference of 17920-23-9).

Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9) 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.Reference of 17920-23-9

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

Thermal dissolution of Shengli and Xiaolongtan lignites in methanol and analysis of the soluble portions was written by Yan, Jie;Zhao, Yun-peng;Xiao, Jian;Tian, You-jia. And the article was included in Ranliao Huaxue Xuebao in 2016.Quality Control of Dimethyl decanedioate This article mentions the following:

Thermal dissolution behaviors of Shengli (SL) and Xiaolongtan (XLT) lignite in methanol were investigated. The composition and structural characteristics of soluble portions (SPs) obtained at 320degree were characterized with Fourier transform IR spectroscopy, gas chromatograph/mass spectrometer (GC/MS) and atm. solid anal. probe/time of flight mass spectrometer (ASAP/TOF-MS). For the two lignites, the yield of SPs increase with temperature increasing, while the yield of SPs from XLT (SP_XLT) is obvious higher than that from SL (SP_SL) above 240 degree. GC/MS anal. results show that compounds in the SPs are dominated in oxygen-containing organic species, especially the relative content of phenols is higher than 49%. The relative contents of alkenes, arenes, ethers, carboxylic acids, esters, organosulfur compounds (OSCs) in SP_SL are higher, while the relative contents of alkanes, phenols, ketones and organonitrogen compounds in SP_SL are lower than those in SP_XLT. Addnl., the OSCs in SP_SL and SP_XLT are mainly composed of thiophenes and mercaptan, resp. Many compounds with high polarity and low volatility which could not be identified by GC/MS were identified using ASAP/TOF-MS. The relative contents of CHO and CHS class species in SP_SL are higher, but the relative contents of CHN, CHNO, CHOS, CHNS and CHNOS in SP_SL are lower than those in SP_XLT. The carbon number and double bond equivalent (DBE) of the compounds in SP_SL and SP_XLT mainly distribute in 0-10 and 3-15, resp., while the distribution of carbon number and DBE of the compound in SP_XLT are more concentrated than those in SP_SL. In the experiment, the researchers used many compounds, for example, Dimethyl decanedioate (cas: 106-79-6Quality Control of Dimethyl decanedioate).

Dimethyl decanedioate (cas: 106-79-6) 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. 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.Quality Control of Dimethyl decanedioate

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

Enantioselective α-Amination of Acyclic 1,3-Dicarbonyls Catalyzed by N-Heterocyclic Carbene was written by Santra, Surojit;Maji, Ujjwal;Guin, Joyram. And the article was included in Organic Letters in 2020.HPLC of Formula: 13669-10-8 This article mentions the following:

Herein, we describe a method for the catalytic enantioselective α-amination of α-substituted acyclic 1,3-ketoamides and 1,3-amidoesters that affords the products possessing N-substituted quaternary stereocenters with a chiral N-heterocyclic carbene (NHC). The reaction is based on the utilization of an intrinsic Bronsted base characteristic of NHC that enables the catalytic formation of a chiral ion pair comprising the enolate and the azolium ion. A series of challenging open-chain α-substituted 1,3-dicarbonyls are aminated via this method with ee’s of ≤99%. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8HPLC of Formula: 13669-10-8).

Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.HPLC of Formula: 13669-10-8

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

Biomarker Metabolites Discriminate between Physiological States of Field, Cave and White-nose Syndrome Diseased Bats was written by Doty, Anna C.;Wilson, A. Dan;Forse, Lisa B.;Risch, Thomas S.. And the article was included in Sensors in 2022.Category: esters-buliding-blocks This article mentions the following:

Anal. of volatile organic compound (VOC) emissions using electronic-nose (e-nose) devices has shown promise for early detection of white-nose syndrome (WNS) in bats. Tricolored bats, Perimyotis subflavus, from three sep. sampling groups defined by environmental conditions, levels of phys. activity, and WNS-disease status were captured temporarily for collection of VOC emissions to determine relationships between these combinations of factors and physiol. states, Pseudogymnoascus destructans (Pd)-infection status, and metabolic conditions. Physiol. active (non-torpid) healthy individuals were captured outside of caves in Arkansas and Louisiana. In addition, healthy and WNS-diseased torpid bats were sampled within caves in Arkansas. Whole-body VOC emissions from bats were collected using portable air-collection and sampling-chamber devices in tandem. Electronic aroma-detection data using three-dimensional Principal Component Anal. provided strong evidence that the three groups of bats had significantly different e-nose aroma signatures, indicative of different VOC profiles. This was confirmed by differences in peak numbers, peak areas, and tentative chem. identities indicated by chromatograms from dual-column GC-analyses. The numbers and quantities of VOCs present in whole-body emissions from physiol. active healthy field bats were significantly greater than those of torpid healthy and diseased cave bats. Specific VOCs were identified as chem. biomarkers of healthy and diseased states, environmental conditions (outside and inside of caves), and levels of physiol. activity. These results suggest that GC/E-nose dual-technologies based on VOC-detection and analyses of physiol. states, provide noninvasive alternative means for early assessments of Pd-infection, WNS-disease status, and other physiol. states. In the experiment, the researchers used many compounds, for example, 5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9Category: esters-buliding-blocks).

5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9) 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.Category: esters-buliding-blocks

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

Cu(I)-NHC-Catalyzed (2 + 3)-Annulation of Tetramic Acids with 2H-Azirines: Stereoselective Synthesis of Functionalized Hexahydropyrrolo[3,4-b]pyrroles was written by Rostovskii, Nikolai V.;Sakharov, Pavel A.;Novikov, Mikhail S.;Khlebnikov, Alexander F.;Starova, Galina L.. And the article was included in Organic Letters in 2015.Category: esters-buliding-blocks This article mentions the following:

A stereoselective and high-yield synthesis of hexahydropyrrolo[3,4-b]pyrroles I [R¹ = PMB, H, Bn, Ph, Ac, etc.; R² = H, Me; R¹R² = (CH₂)₃; R³ = Ph, 4-ClC₆H₄, 4-OMeC₆H₄, CO₂Me, 2-thienyl; R⁴ = 4-MeC₆H₄, 4-OMeC₆H₄, 4-NO₂C₆H₄, Ph; R⁵ = H, Me, Ph] from tetramic acids and 2H-azirines under Cu(I)-NHC catalysis is developed. An unusual N-C2 azirine bond cleavage, initiated by a copper enolate, was rationalized in terms of a free radical reaction mechanism. In the experiment, the researchers used many compounds, for example, Methyl 2-thienylacetate (cas: 19432-68-9Category: esters-buliding-blocks).

Methyl 2-thienylacetate (cas: 19432-68-9) 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. 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.Category: esters-buliding-blocks

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

An improved synthesis of β-keto ester units in didemnins, using 2,2′-carbonylbis(3,5-dioxo-4-methyl-1,2,4-oxadiazolidine) was written by Jouin, Patrick;Poncet, Joel;Dufour, Marie Noelle;Maugras, Isabelle;Pantaloni, Antoine;Castro, Bertrand. And the article was included in Tetrahedron Letters in 1988.Application In Synthesis of (S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate This article mentions the following:

Activation of N-protected α-amino acids and O-protected α-hydroxy acids ROH [R = Boc-Phe, Z-D–allo-Ile, Z-Val, Boc-MeIle, (S)-Me₂CHCH(OAc)CO, Boc-Pro; Boc = Me₃CO₂C; Z = PhCH₂O₂C] with the title agent gave activated intermediates I in 80-98% yields. Alkylation of I with Li enolates of EtOAc or Me₃CSCOEt gave, after hydrolysis, keto esters RCH₂CO₂Et [R = Boc-Phe, Z-D–allo-Ile (II), Z-Val, Boc-MeIle] and RCHMeCOSCMe₃ [R = (S)-Me₂CHCH(OAc)CO (III), Boc-Pro] in 75-95% yields. Reduction of II with NaBH₄ gave isostatine derivative (3S,4R,5S)-EtO₂CCH₂CH(OH)CH(NHZ)CHMeEt (IV). III and IV are intermediate in the preparation of cyclodepsipeptide didemnin B. In the experiment, the researchers used many compounds, for example, (S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate (cas: 87694-53-9Application In Synthesis of (S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate).

(S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate (cas: 87694-53-9) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Application In Synthesis of (S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate

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

Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders was written by Georgiou, Charis;McNae, Iain;Wear, Martin;Ioannidis, Harris;Michel, Julien;Walkinshaw, Malcolm. And the article was included in Journal of Molecular Biology in 2017.Computed Properties of C7H8N2O2 This article mentions the following:

Fragment-based drug discovery is an increasingly popular method to identify novel small-mol. drug candidates. One of the limitations of the approach is the difficulty of accurately characterizing weak binding events. This work reports a combination of X-ray diffraction, surface plasmon resonance experiments and mol. dynamics simulations for the characterization of binders to different isoforms of the cyclophilin (Cyp) protein family. Although several Cyp inhibitors have been reported in the literature, it has proven challenging to achieve high binding selectivity for different isoforms of this protein family. The present studies have led to the identification of several structurally novel fragments that bind to diverse Cyp isoforms in distinct pockets with low millimolar dissociation constants A detailed comparison of the merits and drawbacks of the exptl. and computational techniques is presented, and emerging strategies for designing ligands with enhanced isoform specificity are described. In the experiment, the researchers used many compounds, for example, Methyl 2-aminonicotinate (cas: 14667-47-1Computed Properties of C7H8N2O2).

Methyl 2-aminonicotinate (cas: 14667-47-1) 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. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Computed Properties of C7H8N2O2

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

Improvement of the activity of arylmalonate decarboxylase by random mutagenesis was written by Terao, Y.;Miyamoto, K.;Ohta, H.. And the article was included in Applied Microbiology and Biotechnology in 2006.Formula: C7H8O2S This article mentions the following:

Arylmalonate decarboxylase (EC 4.1.1.76) catalyzes enantioselective decarboxylation of α-aryl-α-methylmalonates to give optically pure α-arylpropionates. Recently, we have succeeded in creating a double mutant enzyme that gave opposite enantionmer as the product. Unfortunately, however, the activity of the mutant decreased far lower than that of the native enzyme. Thus, we performed the directed evolution of the mutant via the random mutagenesis method employing the mutator strain Escherichia coli XL1-Red. About 50,000 mutants were screened on color assay plate, and one mutant with higher activity was obtained. Gene anal. of this mutant indicated that the obtained enzyme had an S36N mutation in addition to its original G74C/C188S mutations. The activity of the triple mutant enzyme was tenfold higher than that of the starting doubly mutated enzyme. In the experiment, the researchers used many compounds, for example, Methyl 2-thienylacetate (cas: 19432-68-9Formula: C7H8O2S).

Methyl 2-thienylacetate (cas: 19432-68-9) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. 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.Formula: C7H8O2S

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