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2-Benzyl-4,4,4-trifluoro-3-oxobutyric acid ethyl ester is a synthetic organic compound with the molecular formula C15H13F3O3. It is a derivative of 3-oxobutyric acid and is commonly used in the production of pharmaceuticals and agrochemicals. 2-BENZYL-4,4,4-TRIFLUORO-3-OXOBUTYRIC ACID ETHYL ESTER is known for its potential use as a building block in the synthesis of complex organic molecules, making it a valuable intermediate in various chemical reactions.

118642-72-1

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118642-72-1 Usage

Uses

Used in Pharmaceutical Industry:
2-Benzyl-4,4,4-trifluoro-3-oxobutyric acid ethyl ester is used as an intermediate in the synthesis of various pharmaceutical compounds. Its versatile chemical properties allow it to be incorporated into the development of new drugs and medications, contributing to advancements in healthcare and medicine.
Used in Agrochemical Industry:
In the agrochemical industry, 2-benzyl-4,4,4-trifluoro-3-oxobutyric acid ethyl ester is utilized as a key component in the production of pesticides and other agricultural chemicals. Its role in these applications helps to improve crop protection and contribute to more efficient and sustainable agricultural practices.
Used as a Building Block in Organic Synthesis:
2-Benzyl-4,4,4-trifluoro-3-oxobutyric acid ethyl ester is also used as a building block in the synthesis of complex organic molecules. Its unique structure and properties make it a sought-after compound for researchers and chemists working on the development of new organic compounds with potential applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 118642-72-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,8,6,4 and 2 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 118642-72:
(8*1)+(7*1)+(6*8)+(5*6)+(4*4)+(3*2)+(2*7)+(1*2)=131
131 % 10 = 1
So 118642-72-1 is a valid CAS Registry Number.
InChI:InChI=1/C13H13F3O3/c1-2-19-12(18)10(11(17)13(14,15)16)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3

118642-72-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 2-benzyl-4,4,4-trifluoro-3-oxobutanoate

1.2 Other means of identification

Product number -
Other names Benzenepropanoic acid,a-(2,2,2-trifluoroacetyl)-,ethylester

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:118642-72-1 SDS

118642-72-1Relevant academic research and scientific papers

Studies on New Acidic Azoles as Glucose-Lowering Agents in Obese, Diabetic db/db Mice

Kees, Kenneth L.,Caggiano, Thomas J.,Steiner, Kurt E.,Fitzgerald, John J.,Kates, Michael J.,et al.

, p. 617 - 628 (1995)

Bioisosteric substitution was used as a tool to generate several new structural alternatives to the thiazolidine-2,4-dione and tetrazole heterocycles as potential antidiabetic agents.Among the initial leads that emerged from this strategy, a family of aci

Coumarins as novel 17β-hydroxysteroid dehydrogenase type 3 inhibitors for potential treatment of prostate cancer

Harada, Koichiro,Kubo, Hideki,Tomigahara, Yoshitaka,Nishioka, Kazuhiko,Takahashi, Junya,Momose, Mio,Inoue, Shinichi,Kojima, Atsuyuki

scheme or table, p. 272 - 275 (2010/04/06)

The synthesis and SAR studies of 3- and 4-substituted 7-hydroxycoumarins as novel 17β-HSD3 inhibitors are discussed. The most potent compounds from this series exhibited low nanomolar inhibitory activity with acceptable selectivity versus other 17β-HSD isoenzymes and nuclear receptors.

Deacylative oxidation strategy for the preparation of α- functionalized carbonyls

Brodsky, Benjamin H.,Du Bois

, p. 2619 - 2621 (2007/10/03)

(Matrix Presented) α-Alkoxylation and amination of carbonyl derivatives is made possible through a unique deacylative coupling reaction that proceeds via in situ Rh-carbene formation and subsequent heteroatom-H (X-H) insertion. Reactions perform optimally

Nonpeptide endothelin antagonists: From lower affinity pyrazol-5-ols to higher affinity pyrazole-5-carboxylic acids

Zhang, Jidong,Didierlaurent, Stanislas,Fortin, Michel,Lefrancois, Dominique,Uridat, Eric,Vevert, Jean Paul

, p. 1351 - 1355 (2007/10/03)

Random screening of compounds in endothelin receptor (ET(A) and ET(B)) binding assays led to the discovery of a new class of pyrazol-5-ol ligands. Characterization of structural features crucial for binding activities of these pyrazol-5-ols, by structure-activity-relationship (SAR) studies, allowed us to design a novel class of pyrazole-5-carboxylic acids as more potent ET antagonists. (C) 2000 Elsevier Science Ltd. All rights reserved.

Alkylation of Ethyl 4,4,4-Trifluoroacetoacetate. First Example of a Reversible O-Alkylation Process leading to C-Alkylation

Begue, Jean-Pierre,Charpentier-Morize, Micheline,Nee, Gerard

, p. 83 - 84 (2007/10/02)

In aprotic polar solvents the ratio of O vs.C alkylation products of ethyl 4,4,4-trifluoroacetoacetate (ETFAA) can be dependent on reaction time; in hexamethylphosphoric triamide (HMPA) or acetone, the SN2 cleavage of enol ethers of ETFAA with sodium iodide was observed with concomitant formation of the sodium enolate and the corresponding iodides, and in the case of an activated iodide the mono- and di-alkylation products resulted quantitavely.

ALKYLATION DU TRIFLUOROACETYLACETATE D'ETHYLE METHODE GENERALE D'ACCES AUX TRIFLUOROMETHYLCETONES. 2eme PARTIE: ALKYLATIONS INDIRECTS DU TFAAE

Aubert, Corinne,Begue, Jean-Pierre,Charpentier-Morize, Micheline,Nee, Gerard,Langlois, Bernard

, p. 377 - 394 (2007/10/02)

A versatile method of alkylation of ethyltrifluoroacetylacetate (ETFAA) allowed selective C-alkylation of ETFAA, whatever the structure of alkyl halide was, providing that the carbonyl function was masked into a dioxolan 3 or a N,N-dimethyl hydrazone 5.These last derivatives were easily alkylated and their specific deprotection led to various C-alkylated ETFAA which in turn allowed, by a simple decarbethoxylation, the preparation of the corresponding trifluoromethyl ketones in good yields.

METHODE GENERALE D'ACCES AUX TRIFLUOROMETHYLCETONES. 1ere PARTIE: ALKYLATION DIRECTE DU TRIFLUOROACETYLACETATE D'ETHYLE

Aubert, Corinne,Begue, Jean-Pierre,Charpentier-Morize, Micheline,Nee, Gerard,Langlois, Bernard

, p. 361 - 376 (2007/10/02)

Alkylation of Ethyl 4,4,4 trifluoroacetylacetate (ETFAA) 1 by alkyl halides presented some typical features.The reaction was very slow and led preferentially to O-alkylated products.However, with activated halides and under some peculiar conditions, it was possible to obtain selectively C-alkylated products 3 and 4 in good yields.

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