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Methyl 4-(4,4,4-trifluorobutanoyl)benzoate, also known as Methyl 4-(4,4,4-trifluorobutryl)benzoate, is a chemical compound with the molecular formula C14H13F3O3. It is an ester formed from the reaction of an alcohol and a carboxylic acid. Methyl 4-(4,4,4-trifluorobutanoyl)benzoate is characterized by the presence of three fluorine atoms in its structure, which imparts unique properties such as high stability, chemical resistance, and biological activity. Its fruity odor makes it a popular ingredient in fragrances, while its versatility in organic synthesis contributes to its use in the development of pharmaceutical and agrochemical products.

952107-73-2

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952107-73-2 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
Methyl 4-(4,4,4-trifluorobutanoyl)benzoate is used as a key intermediate in the synthesis of various pharmaceutical and agrochemical products. Its unique properties, including high stability and biological activity, make it a valuable building block in the development of new drugs and pesticides.
Used in Flavor and Fragrance Industry:
Due to its fruity odor, Methyl 4-(4,4,4-trifluorobutanoyl)benzoate is used as a fragrance ingredient in various consumer products, such as perfumes, cosmetics, and air fresheners. Its pleasant scent and compatibility with other fragrance compounds make it a popular choice in the creation of complex and long-lasting scents.
Used in Organic Synthesis:
Methyl 4-(4,4,4-trifluorobutanoyl)benzoate serves as a versatile building block in organic synthesis, allowing for the creation of a wide range of chemical compounds. Its unique structure and properties make it suitable for use in the development of new materials, catalysts, and other specialty chemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 952107-73-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,5,2,1,0 and 7 respectively; the second part has 2 digits, 7 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 952107-73:
(8*9)+(7*5)+(6*2)+(5*1)+(4*0)+(3*7)+(2*7)+(1*3)=162
162 % 10 = 2
So 952107-73-2 is a valid CAS Registry Number.
InChI:InChI=1S/C12H11F3O3/c1-18-11(17)9-4-2-8(3-5-9)10(16)6-7-12(13,14)15/h2-5H,6-7H2,1H3

952107-73-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 4-(4,4,4-trifluorobutanoyl)benzoate

1.2 Other means of identification

Product number -
Other names -

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:952107-73-2 SDS

952107-73-2Relevant academic research and scientific papers

A phenylpyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating Glucagon Receptor activity related diseases containing the same as an active ingredient

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Paragraph 0363-0365; 0369-0370, (2020/04/29)

The present invention relates to a phenylpyrimidine derivative, a method for manufacturing the same, and a pharmaceutical composition for preventing or treating glucagon receptor activity- related diseases. It is confirmed that the phenylpyrimidine deriva

Photoredox Reaction of 2-Mercaptothiazolinium Salts with Silyl Enol Ethers

Zemtsov, Artem A.,Ashirbaev, Salavat S.,Levin, Vitalij V.,Kokorekin, Vladimir A.,Korlyukov, Alexander A.,Dilman, Alexander D.

, (2019/11/29)

A method for the generation of free radicals from thiazolinium salts upon photocatalytic reduction is described. The thiazolinium salts are generated by treatment with methyl triflate of 2-mercaptothiazolines, which can be readily obtained from alkyl bromides and tosylates via a nucleophilic substitution reaction or by hydrothiolation of alkenes. Silyl enol ethers were used to trap the radicals, furnishing ketones after successive single-electron oxidation and elimination of the silyl cation.

Synthesis of β-CF 3 Ketones through Copper/Silver Cocatalyzed Oxidative Coupling of Enol Acetates with ICH 2 CF 3

Xiong, Yi,Chen, De,Zeng, Sheng,Cheng, Chaozhihui,Wang, Pengjie,Deng, Wei,Xiang, Jiannan,Yi, Niannian

supporting information, p. 2279 - 2282 (2018/10/20)

A simple method for the synthesis of β-CF 3 ketones through copper/silver cocatalyzed oxidative coupling of enol acetates with ICH 2 CF 3 has been developed. Enol acetates were chosen as the source of carbonyl group, giving the β-CF 3 ketones in moderate yields. Control experiments imply that a radical process maybe involved in this reaction.

Oxidative 3,3,3-trifluoropropylation of arylaldehydes

Ikeda, Akari,Omote, Masaaki,Nomura, Shiho,Tanaka, Miyuu,Tarui, Atsushi,Sato, Kazuyuki,Ando, Akira

supporting information, p. 2417 - 2421 (2014/01/06)

A reaction between (E)-trimethyl(3,3,3-trifluoroprop-1-en-1-yl)silane (1) and arylaldehydes 2 was triggered by fluoride anions to afford aryl 3,3,3-trifluoropropyl ketones 3 in moderate to good yield. A mechanistic study of this reaction indicated that it occurred via an allyl alkoxide (4). A subsequent 1,3-proton shift of the benzylic proton of 4 forms 3. This reaction involves oxidative 3,3,3-trifluoropropylation of an arylaldehyde to afford 4,4,4-trifluoro-1-arylbutan-1-one.

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