Category: 19432-68-9

Calorimetric and computational study of (1H-Indol-n-yl)methanol and 2-(1H-Indol-n-yl)ethanol (n=2, 3) was written by Carvalho, Tania M. T.;Amaral, Luisa M. P. F.;Morais, Victor M. F.;Ribeiro da Silva, Maria D. M. C.. And the article was included in Thermochimica Acta in 2019.COA of Formula: C7H8O2S This article mentions the following:

In the present work, the gas-phase standard molar enthalpy of formation of 2-(1H-indol-3-yl)ethanol was derived, at T = 298.15 K, from the enthalpy of combustion for the crystalline compound, measured by static-bomb calorimetry, and its enthalpy of sublimation obtained from Calvet microcalorimetry measurements. The standard molar enthalpies of formation of this compound and for (1H-indol-2-yl)methanol, (1H-indol-3-yl)methanol and 2-(1H-indol-2-yl)ethanol were calculated using the composite G3 method. The exptl. value of the gas-phase enthalpy of formation of 2-(1H-indol-3-yl)ethanol is -(48.5 ± 3.3) kJ mol^-1, being in excellent agreement with the G3 value, thus giving confidence to the estimates The results were analyzed in terms of the enthalpic methylene increments and compared with other related systems. In the experiment, the researchers used many compounds, for example, Methyl 2-thienylacetate (cas: 19432-68-9COA of Formula: 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. Polyesters are important plastics, with monomers linked by ester moieties. 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.COA of Formula: C7H8O2S

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

Predicting the Genotoxicity of Thiophene Derivatives from Molecular Structure was written by Mosier, Philip D.;Jurs, Peter C.;Custer, Laura L.;Durham, Stephen K.;Pearl, Greg M.. And the article was included in Chemical Research in Toxicology in 2003.Name: Methyl 2-thienylacetate This article mentions the following:

We report several binary classification models that directly link the genetic toxicity of a series of 140 thiophene derivatives with information derived from the compounds’ mol. structure. Genetic toxicity was measured using an SOS Chromotest. IMAX (maximal SOS induction factor) values were recorded for each of the 140 compounds both in the presence and in the absence of S9 rat liver homogenate. Compounds were classified as genotoxic if IMAX ≥ 1.5 in either test or nongenotoxic if IMAX < 1.5 for both tests. The mol. structures were represented by numerical descriptors that encoded the topol., geometric, electronic, and polar surface area properties of the thiophene derivatives The classification models used were linear discriminant anal. (LDA), k-nearest neighbor classification (k-NN), and the probabilistic neural network (PNN). These were used in conjunction with either a genetic algorithm or a generalized simulated annealing to find optimal subsets of descriptors for each classifier. The quality of the resulting models was determined by the number of misclassified compounds, with preference given to models that produced fewer false neg. classifications. Model sizes ranged from seven descriptors for LDA to three descriptors for k-NN and PNN. Very good classification results were obtained with all three classifiers. Classification rates for the LDA, k-NN, and PNN models were 80, 85, and 85%, resp., for the prediction set compounds Addnl., a consensus model was generated that incorporated all three of the basic model types. This consensus model correctly predicted the genotoxicity of 95% of the prediction set compounds In the experiment, the researchers used many compounds, for example, Methyl 2-thienylacetate (cas: 19432-68-9Name: Methyl 2-thienylacetate).

Methyl 2-thienylacetate (cas: 19432-68-9) 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. 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.Name: Methyl 2-thienylacetate

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

CuO-Catalyzed oxidation of aryl acetates with aqueous tert-butyl hydroperoxide for the synthesis of α-ketoesters was written by Jiang, Jin. And the article was included in Journal of Chemical Research in 2019.Application of 19432-68-9 This article mentions the following:

A practical method to access α-ketoesters ArC(O)C(O)OR [Ar = Ph, 4-BrC₆H₄, 2-thienyl, etc.; R = Me, iPr, Bn, etc.] via CuO catalyzed oxidation of aryl acetates using aqueous tert-Bu hydroperoxide was developed. No addnl. solvents were required in this method and it was found the peroxide side products in the reaction could be decomposed to products by using pyridine. In the experiment, the researchers used many compounds, for example, Methyl 2-thienylacetate (cas: 19432-68-9Application of 19432-68-9).

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. 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.Application of 19432-68-9

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