Tag: 100-200

Concentration of renewable products of crude bio-oil from thermal cracking of the methyl esters in castor oil was written by Menshhein, Guilherme;Costa, Vanderlei;Chiarello, Luana M.;Scharf, Dilamara R.;Simionato, Edesio L.;Botton, Vanderleia;Meier, Henry F.;Wiggers, Vinicyus R.;Ender, Laercio. And the article was included in Renewable Energy in 2019.Application of 106-73-0 The following contents are mentioned in the article:

Castor oil has been widely used as raw material to obtain compounds such as paints, solvents, rubbers, polyurethane polymers and chem. inputs. Then, one highlighted route is thermal cracking of castor oil to produce bio-oil, mainly composed of heptaldehyde and Me undecenoate, which are used as precursors of lactones in the food and beverage industry. The main aim of this study was to evaluate the separation heptaldehyde and Me undecenoate by distillation of bio-oil from thermal cracking of the Me esters in castor oil (MECO). Distilled fractions were analyzed by gas chromatog. (GC). Thus, it was possible to concentrate the fractions of heptaldehyde and Me undecenoate in a section with a distillation system at atm. pressure with a distillation rate of 5.0 mL min^-1 at 270°C, which motivates new researches for up-scaling of the process. This study involved multiple reactions and reactants, such as Methyl heptanoate (cas: 106-73-0Application of 106-73-0).

Methyl heptanoate (cas: 106-73-0) 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. 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.Application of 106-73-0

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

Application of a Target-Guided Data Processing Approach in Saturated Peak Correction of GCxGC Analysis was written by Zhang, Penghan;Carlin, Silvia;Franceschi, Pietro;Mattivi, Fulvio;Vrhovsek, Urska. And the article was included in Analytical Chemistry (Washington, DC, United States) in 2022.Synthetic Route of C7H14O3 The following contents are mentioned in the article:

Detector and column saturations are problematic in comprehensive two-dimensional gas chromatog. (GCxGC) data anal. This limits the application of GCxGC in metabolomics research. To address the problems caused by detector and column saturations, we propose a two-stage data processing strategy that will incorporate a targeted data processing and cleaning approach upstream of the “standard” untargeted anal. By using the retention time and mass spectrometry (MS) data stored in a library, the annotation and quantification of the targeted saturated peaks have been significantly improved. After subtracting the nonperfected signals caused by saturation, peaks of coelutes can be annotated more accurately. Our research shows that the target-guided method has broad application prospects in the data anal. of GCxGC chromatograms of complex samples. This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9Synthetic Route of C7H14O3).

Ethyl 3-ethoxypropanoate (cas: 763-69-9) 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. 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 C7H14O3

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

The effect of biodiesel fuels on transient emissions from modern diesel engines, Part II. Unregulated emissions and chemical characterization was written by Sharp, Christopher A.;Howell, Steve A.;Jobe, Joe. And the article was included in Society of Automotive Engineers in 2000.Computed Properties of C9H16O4 The following contents are mentioned in the article:

As part of Tier 1 compliance requirements for EPA’s Fuel Registration Program, a detailed chem. characterization of the transient exhaust emissions of biodiesel from 3 modern diesel engines was performed, both with and without oxidation catalyst. This characterization included several forms of hydrocarbon speciation, and measurement of aldehydes, ketones, and alcs. In addition, both particle-phase and semivolatile-phase PAH and nitro-PAH compounds were measured. Unregulated emissions were characterized with neat biodiesel and with a blend of biodiesel and conventional diesel fuel. Chem. characterization revealed lower levels of some toxic and reactive hydrocarbon species when biodiesel fuels were used. In addition, emissions of PAH and nitro-PAH compounds were substantially lower with biodiesel, as compared to conventional diesel fuel. This study involved multiple reactions and reactants, such as Ethyl methyl adipate (cas: 18891-13-9Computed Properties of C9H16O4).

Ethyl methyl adipate (cas: 18891-13-9) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Computed Properties of C9H16O4

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

Discovery of PF-06873600, a CDK2/4/6 Inhibitor for the Treatment of Cancer was written by Freeman-Cook, Kevin D.;Hoffman, Robert L.;Behenna, Douglas C.;Boras, Britton;Carelli, Jordan;Diehl, Wade;Ferre, Rose Ann;He, You-Ai;Hui, Andrea;Huang, Buwen;Huser, Nanni;Jones, Rhys;Kephart, Susan E.;Lapek, John;McTigue, Michele;Miller, Nichol;Murray, Brion W.;Nagata, Asako;Nguyen, Lisa;Niessen, Sherry;Ninkovic, Sacha;O′Doherty, Inish;Ornelas, Martha A.;Solowiej, James;Sutton, Scott C.;Tran, Khanh;Tseng, Elaine;Visswanathan, Ravi;Xu, Meirong;Zehnder, Luke;Zhang, Qin;Zhang, Cathy;Dann, Stephen. And the article was included in Journal of Medicinal Chemistry in 2021.Computed Properties of C7H14O3 The following contents are mentioned in the article:

Control of the cell cycle through selective pharmacol. inhibition of CDK4/6 has proven beneficial in the treatment of breast cancer. Extending this level of control to addnl. cell cycle CDK isoforms represents an opportunity to expand to addnl. tumor types and potentially provide benefits to patients that develop tumors resistant to selective CDK4/6 inhibitors. However, broad-spectrum CDK inhibitors have a long history of failure due to safety concerns. In this approach, we describe the use of structure-based drug design and Free-Wilson anal. to optimize a series of CDK2/4/6 inhibitors. Further, we detail the use of mol. dynamics simulations to provide insights into the basis for selectivity against CDK9. Based on overall potency, selectivity, and ADME profile, PF-06873600 (22) was identified as a candidate for the treatment of cancer and advanced to phase 1 clin. trials. This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9Computed Properties of C7H14O3).

Ethyl 3-ethoxypropanoate (cas: 763-69-9) 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. 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 C7H14O3

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

Synthesis and anxiolytic activity of some novel benzotriazole derivatives was written by Singh, V. K.;Bharadwaj, Peeyush;Rishishwar, Poonam. And the article was included in Journal of Drug Delivery and Therapeutics in 2019.Recommanded Product: 2253-73-8 The following contents are mentioned in the article:

1,2,3-Benzotriazole (BTA) is a heterocyclic compound with three nitrogen atoms. It is a polar and colorless compound which can be used for its great versatility. The enormous investigations on derivatives of benzotriazole reveal wide applicability for tagging and delivering a number of heterocyclic nuclei with this mol. In the present work synthesis of several derivatives of 1-(substituted)-5-[(N-benzotriazolomethyl)-1,3, 4-thiadiazolyl]- imidazole-2-thione has been synthesized and are evaluated for their anxiolytic activity. The antianxiety activities of the synthesized derivatives were evaluated using EPM test and Bright and dark box test exptl. models of anxiety. All results were expressed as mean± standard error mean (SEM) and analyzed by one-way ANOVA. Post-hoc comparisons were performed by applying Dunnet′s test. P <0.05 was considered statistically significant. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Recommanded Product: 2253-73-8).

Isopropylisothiocyanate (cas: 2253-73-8) 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. 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.Recommanded Product: 2253-73-8

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

Synthesis and anxiolytic activity of some novel benzotriazole derivatives was written by Singh, V. K.;Bharadwaj, Peeyush;Rishishwar, Poonam. And the article was included in Journal of Drug Delivery and Therapeutics in 2019.Synthetic Route of C4H7NS The following contents are mentioned in the article:

1,2,3-Benzotriazole (BTA) is a heterocyclic compound with three nitrogen atoms. It is a polar and colorless compound which can be used for its great versatility. The enormous investigations on derivatives of benzotriazole reveal wide applicability for tagging and delivering a number of heterocyclic nuclei with this mol. In the present work synthesis of several derivatives of 1-(substituted)-5-[(N-benzotriazolomethyl)-1,3, 4-thiadiazolyl]- imidazole-2-thione has been synthesized and are evaluated for their anxiolytic activity. The antianxiety activities of the synthesized derivatives were evaluated using EPM test and Bright and dark box test exptl. models of anxiety. All results were expressed as mean± standard error mean (SEM) and analyzed by one-way ANOVA. Post-hoc comparisons were performed by applying Dunnet′s test. P <0.05 was considered statistically significant. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Synthetic Route of C4H7NS).

Isopropylisothiocyanate (cas: 2253-73-8) 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. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Synthetic Route of C4H7NS

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

Copper Complexes of 1,4-Naphthoquinone Containing Thiosemicarbazide and Triphenylphosphine Oxide Moieties; Synthesis and Identification by NMR, IR, Mass, UV Spectra, and DFT Calculations was written by Alshammari, Mohammed B.;Aly, Ashraf A.;Brase, Stefan;Nieger, Martin;Ibrahim, Mahmoud A. A.;Abd El-Haleem, Lamiaa E.. And the article was included in ACS Omega in 2022.Application of 2253-73-8 The following contents are mentioned in the article:

New 1,4-naphthoquinone derived by triphenylphosphaneylidene (Ph₃P) and N-substituted-hydrazine-1-carbothioamides were obtained during a one-pot reaction of 2,3-dichloro-1,4-naphthoquinone with thiosemicarbazides, Ph₃P and in the presence of tri-Et amine (Et₃N) as a catalyst. The structure of the ligands was established by ESI, IR, and NMR spectra, in addition to elemental analyses and X-ray structure anal. On subjecting the newly prepared ligands with CuCl₂ and Ph₃P, autoxidation occurs, and (E)-(2-(1,4-dioxo-3-(tri-Ph phosphanylidene)-3,4-dihydronaphthalen-2(1H)-ylidene)carbamothioyl)hydrazinyl-((triphenylphosphanyl)oxy)copper derivatives were formed in very good yields. The structure of the obtained complexes was proved by ESI, IR, NMR, and UV spectra, in addition to elemental analyses and theor. calculations This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Application of 2253-73-8).

Isopropylisothiocyanate (cas: 2253-73-8) 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. 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.Application of 2253-73-8

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

Development of a Scalable Process for the Insecticidal Candidate Tyclopyrazoflor. Part 2. Fit-for-Purpose Optimization of the Route to Tyclopyrazoflor Featuring [3 + 2] Cyclization of 3-Hydrazinopyridine·2HCl and Methyl Acrylate was written by Yang, Qiang;Li, Xiaoyong;Lorsbach, Beth A.;Muhuhi, Joseck M.;Roth, Gary A.;Gray, Kaitlyn;Podhorez, David E.. And the article was included in Organic Process Research & Development in 2019.Reference of 763-69-9 The following contents are mentioned in the article:

Optimization of the route to the sap-feeding insecticidal candidate tyclopyrazoflor (I) featuring [3 + 2] cyclization of 3-hydrazinopyridine·2HCl and Me acrylate is described. The key impurities in the [3 + 2] cyclization were identified and successfully controlled after optimization. The hazards associated with oxidation of an intermediate pyrazolidin-3-one using the incompatible combination of potassium persulfate and N,N-dimethylformamide (DMF) were avoided by using potassium ferricyanide in the presence of potassium hydroxide in water. The two elimination impurities in the ethylation step to produce tyclopyrazoflor were successfully minimized using Et iodide in the presence of cesium carbonate in DMF at 0 °C. The overall yield for this seven-step synthesis of tyclopyrazoflor was improved from 10% to 41% after the optimization detailed herein. This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9Reference of 763-69-9).

Ethyl 3-ethoxypropanoate (cas: 763-69-9) 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. 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. Reference of 763-69-9

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

Generation of β-carbonyl radicals from cyclopropanol derivatives by oxidation with manganese(III) 2-pyridinecarboxylate and their reactions with electron-rich and -deficient olefins was written by Iwasawa, Nobuharu;Hayakawa, Satoshi;Funahashi, Masahiro;Isobe, Koichi;Narasaka, Koichi. And the article was included in Bulletin of the Chemical Society of Japan in 1993.COA of Formula: C9H16O4 The following contents are mentioned in the article:

Various β-carbonyl radicals are generated oxidatively from cyclopropanol derivatives by the use of manganese(III) 2-pyridinecarboxylate [Mn(pic)₃]. These β-carbonyl radicals react with electron-rich olefins such as conjugated silyl enol ethers, a ketene thioacetal, a ketene dithioacetal, and a vinyl ether intermolecularly to give crossed-addition products in good yield. Thus, 1-phenylcyclopropanol and CH₂:CPhOSiMe₂CMe₃ afforded 89% PhCO(CH₂)₃COPh. Furthermore, the combined use of Mn(pic)₃ and tributylhydridotin makes it possible to carry out the 1:1 addition reaction of these β-carbonyl radicals with electron-deficient olefins such as acrylonitrile, acrylaldehyde, Me acrylate, Me vinyl ketone, and N,N-dimethylacrylamide; the corresponding products are obtained in moderate to good yield. This study involved multiple reactions and reactants, such as Ethyl methyl adipate (cas: 18891-13-9COA of Formula: C9H16O4).

Ethyl methyl adipate (cas: 18891-13-9) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. 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.COA of Formula: C9H16O4

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

Safety of food contact silicone rubber: liberation of volatile compounds from soothers and teats was written by Lund, Kirsten H.;Petersen, Jens Hojslev. And the article was included in European Food Research and Technology in 2002.Quality Control of Ethyl 3-ethoxypropanoate The following contents are mentioned in the article:

The release of volatile compounds from infant pacifiers and bottle nipples made from silicone rubber has been investigated. Measurements of the total release of volatiles were performed according to the method in the draft European standard (CEN). Weight losses of 0.17-0.80% after four hours at 200°C were observed using gravimetric measurements. One product had a weight loss above the proposed CEN limit of 0.5%. The volatile compounds were identified using a thermal desorption/cold trap injector on a gas chromatograph equipped with IR spectroscopic (IR) and mass spectrometric (MS) detectors. The main compounds were siloxane oligomers and aliphatic hydrocarbons. One teat released about 0.1 mg di-Et phthalate (DEP), which is considered to be quite a high quantity. Limited amounts of the antioxidant 3,5-di-t-butyl-4-hydroxytoluene (BHT) were found in most samples. This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9Quality Control of Ethyl 3-ethoxypropanoate).

Ethyl 3-ethoxypropanoate (cas: 763-69-9) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. 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. Quality Control of Ethyl 3-ethoxypropanoate

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