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Thiobenzoic acid ethyl ester, also known as ethyl phenylthioacetate, is an organic compound with the chemical formula C9H10OS. It is a colorless liquid that is soluble in organic solvents and has a mild, aromatic odor. This ester is formed by the reaction of thiobenzoic acid with ethanol in the presence of a catalyst, such as sulfuric acid. Thiobenzoic acid ethyl ester is used as a synthetic intermediate in the production of various pharmaceuticals, agrochemicals, and other organic compounds. It is also employed as a reagent in chemical analysis and as a solvent in certain industrial processes. Due to its reactivity, it is essential to handle Thiobenzoic acid ethyl ester with care, following proper safety protocols.

936-61-8

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936-61-8 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 936-61-8 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 9,3 and 6 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 936-61:
(5*9)+(4*3)+(3*6)+(2*6)+(1*1)=88
88 % 10 = 8
So 936-61-8 is a valid CAS Registry Number.

936-61-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name O-ethyl benzenecarbothioic acid

1.2 Other means of identification

Product number -
Other names Thionbenzoesaeure-aethylester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:936-61-8 SDS

936-61-8Relevant academic research and scientific papers

STUDIES IN FLUORINATED 1,3-DIKETONES AND RELATED COMPOUNDS PART XV. SYNTHESIS AND SPECTROSCOPIC STUDIES OF SOME NEW FLUORINATED MONOTHIO-1,3-DIKETONES

Joshi, Krishna C.,Pathak, Vijai N.

, p. 409 - 412 (1984)

Six new polyfluorinated monothio-1,3-diketones have been synthesized from the corresponding fluorinated acetophenones and appropriate O-alkyl thioesters in the presence of sodamide.All these monothio-1,3-diketones are characterized by I.R. and 1H N.M.R. s

Base-Catalyzed Transesterification of Thionoesters

Newton, Josiah J.,Britton, Robert,Friesen, Chadron M.

, p. 12784 - 12792 (2018/10/20)

Here we report a convenient synthesis of thionoesters by base-catalyzed transesterification. Benzyl and alkyl thionobenzoates and thionoheterobenzoates were efficiently prepared using various alcohols catalyzed by the corresponding sodium alkoxide. This methodology features a broad substrate scope, good to excellent yields, short reaction times, while simultaneously driving the reaction toward completion through the removal of the methanol byproduct. We also report the conversion of a small collection of thionobenzoates into the corresponding α,α-difluorobenzyl ethers to demonstrate the conversion of alcohols into difluorobenzyl or difluoroheterobenzyl ethers, a process that could prove useful for lead optimization in medicinal chemistry.

HETEROAROMATIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF

-

Paragraph 00726, (2015/11/10)

Provided herein are novel heteroaromatic derivatives, or a stereoisomer, a geometric isomer, a tautomer, an N-oxide, a hydrate, a solvate, a prodrug, a pharmaceutically acceptable salt or a prodrug thereof, and pharmaceutical compositions containing such compounds. Also provided herein are uses of such compounds or pharmaceutical compositions thereof in the manufacture of a medicament for treating respiratory diseases, especially chronic obstructive pulmonary disease (COPD).

Investigations of the Thermal Responsiveness of 1,4,2-Oxathiazoles

Hewitt, Russell J.,Ong, Michelle Jui Hsien,Lim, Yi Wee,Burkett, Brendan A.

supporting information, p. 6687 - 6700 (2015/10/29)

The first systematic study of the thermal rearrangement/fragmentation of 5,5-disubstituted 1,4,2-oxathiazoles into isothiocyanates is reported. Structure-activity relationships reveal that the choice of substituent at the 5-position of the 1,4,2-oxathiazoles is the predominant factor to influence the ease of fragmentation.

Metal-ion catalysis in alkaline ethanolysis of 2-pyridyl thionobenzoate: Effects of modification of electrophilic center from C=O to C=S

Um, Ik-Hwan,Song, Yoon-Ju,Kim, Min-Young,Lee, Jae-In

, p. 1525 - 1529 (2013/07/28)

Pseudo-first-order rate constants (kobsd) have been measured spectrophotometrically for the nucleophilic substitution reactions of 2-pyridyl thionobenzoate (5b) with alkali-metal ethoxides (EtOM, M+ = Li +, Na+, K+, and 18-crown-6-ether complexed K+) in anhydrous ethanol at 25.0 ± 0.1 oC. The plots of kobsd vs. [EtOM]o curve upward regardless of the nature of the M+ ions, while those of kobsd/[EtO -]eq vs. [EtO-]eq are linear with a positive intercept. Dissection of kobsd into kEtO- and kEtOM (i.e., the second-order rate constants for the reactions with the dissociated EtO- and ion-paired EtOM, respectively) has revealed that the ion-paired EtOM is more reactive than the dissociated EtO-, and M+ ions catalyze the reactions in the order K+ Na + Li+ 18C6-complexed K+. The plot of log k EtOM vs. 1/rStokes results in an excellent linear correlation, indicating that the reactions are catalyzed by the solvated M + ions but not by the bare M+ ions. The reactions of 5b with EtOM have been concluded to proceed through a six-membered cyclic TS, in which the solvated M+ ions increase the electrophilicity of the reaction center and the nucleofugality of the leaving group.

Facile conversion of dithioesters into carboxylic acids or esters using alkaline hydrogen peroxide

Grellepois, Fabienne,Portella, Charles

experimental part, p. 3443 - 3446 (2009/05/09)

Simple, mild, and environmentally friendly procedures for the direct conversion of dithioesters into either carboxylic acids or esters using hydrogen peroxide under alkaline conditions are described. Georg Thieme Verlag.

INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS

-

Page 40, (2010/02/10)

The present invention relates to compounds of Formula I: I which are agonists of the M-1 muscarinic receptor.

3-HYDROXY-4-OXO-1,2,3-TRIAZINES AND DERIVATIVES THEREOF FOR AMIDE AND ESTER BOND FORMATION

-

Page 54, (2010/02/10)

The present invention relates to the use of a compound of formula I as a coupling reagent in forming amide or ester bonds from a reaction between a carboxylic acid and an amine or an alcohol, respectively. The compounds of formula I are especially useful as coupling reagents in the preparation of peptide bonds during peptide synthesis. In particular, the compounds of formula I are useful in promoting the formation of reactive reaction intermediates, inhibiting side reactions and in suppression of racemization. In addition, the present invention provides novel compounds of Formula I, and salts of N-oxides thereof.

Thionation of esters and lactones with the reagent combination of phosphorus pentasulfide and hexamethyldisiloxane

Curphey, Thomas J

, p. 371 - 373 (2007/10/03)

The combination of P4S10 and hexamethyldisiloxane converts esters and lactones to thionoesters and thionolactones in yields comparable to or superior to those obtained with Lawesson's reagent. The method has the advantage that reagent-derived byproducts may be removed by a simple hydrolytic workup or by filtration through silica gel, rather than by chromatography, as required for Lawesson's reagent.

Thionation with the reagent combination of phosphorus pentasulfide and hexamethyldisiloxane

Curphey, Thomas J.

, p. 6461 - 6473 (2007/10/03)

The combination of P4S10 and hexamethyldisiloxane efficiently converts esters, lactones, amides, lactams, and ketones to their corresponding thiono derivatives. In the presence of elemental sulfur, 3-oxoesters are converted to dithiolethiones by this reagent. Yields are comparable to or superior to those obtained with Lawesson's reagent. The method has the advantage that reagent-derived byproducts may be removed by a simple hydrolytic workup or by filtration through silica gel, rather than by chromatography, as required for Lawesson's reagent.

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