118642-72-1

Basic information

• Product Name: 2-BENZYL-4,4,4-TRIFLUORO-3-OXOBUTYRIC ACID ETHYL ESTER
• Synonyms: 2-BENZYL-4,4,4-TRIFLUORO-3-OXOBUTYRIC ACID ETHYL ESTER;Ethyl 2-benzyl-4,4,4-trifluoro-3-oxobutanoate
• CAS NO: 118642-72-1
• Molecular Formula: C₁₃H₁₃F₃O₃
• Molecular Weight: 274.24
• Mol File: 118642-72-1.mol

Chemical Properties

• Boiling Point: 295°C at 760 mmHg
• Flash Point: 128.1°C
• Appearance: /
• Density: 1.234g/cm³
• Vapor Pressure: 0.00157mmHg at 25°C
• Refractive Index: 1.462
• CAS DataBase Reference: 2-BENZYL-4,4,4-TRIFLUORO-3-OXOBUTYRIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BENZYL-4,4,4-TRIFLUORO-3-OXOBUTYRIC ACID ETHYL ESTER(118642-72-1)
• EPA Substance Registry System: 2-BENZYL-4,4,4-TRIFLUORO-3-OXOBUTYRIC ACID ETHYL ESTER(118642-72-1)

Safety Data

• Hazardous Substances Data: 118642-72-1(Hazardous Substances Data)

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.

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

Upstream product

• 100-39-0 benzyl bromide 
• 372-31-6 ethyl 4,4,4-trifluoroacetoacetate 
• 100-44-7 benzyl chloride 
• 118642-86-7 3-(Dimethyl-hydrazono)-4,4,4-trifluoro-butyric acid ethyl ester 
• 2021-28-5 ethyl dihydrocinnamate 
• 118642-63-0 N,N-dimethyl hydrazono-3 trifluoro-4,4,4 benzyl-2 butanoate d'ethyle 

Downstream Products

• 1125568-91-3 C₁₇H₁₁F₃O₃ 
• 140239-18-5 4-benzyl-4-carbethoxy-3-trifluoromethylcyclohex-2-enone 
• 121692-35-1 benzyl-2 allyl-2 trifluoroacetylacetate d'ethyle 
• 86571-26-8 1,1,1-trifluoro-4-phenylbutan-2-one 
• 121671-61-2 dibenzyl-2,2 trifluoroacetylacetate d'ethyle 

Relevant articles and documents

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

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

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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

(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

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

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.

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

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.

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

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.