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Benzenepropanoic acid, α-(trifluoromethyl)-, ethyl ester, also known as α-(trifluoromethyl)benzenepropanoic acid ethyl ester, is an organic compound with the chemical formula C11H11F3O2. It is a colorless liquid with a molecular weight of 234.2 g/mol. Benzenepropanoic acid, a-(trifluoromethyl)-, ethyl ester is characterized by the presence of a benzene ring, a propanoic acid chain, and a trifluoromethyl group attached to the α-carbon. The ethyl ester functional group is formed by the esterification of the carboxylic acid with ethanol. It is used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals, particularly in the production of fluroxypyr, a herbicide. Due to its potential applications and chemical properties, it is important to handle Benzenepropanoic acid, a-(trifluoromethyl)-, ethyl ester with care, as it may have toxic effects and should be stored away from heat and open flames.

90784-41-1

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90784-41-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 90784-41-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,0,7,8 and 4 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 90784-41:
(7*9)+(6*0)+(5*7)+(4*8)+(3*4)+(2*4)+(1*1)=151
151 % 10 = 1
So 90784-41-1 is a valid CAS Registry Number.

90784-41-1Downstream Products

90784-41-1Relevant academic research and scientific papers

N-Heterocyclic Carbene-Catalyzed Synthesis of α-Trifluoromethyl Esters

Gelat, Fabien,Patra, Atanu,Pannecoucke, Xavier,Biju, Akkattu T.,Poisson, Thomas,Besset, Tatiana

, p. 3897 - 3901 (2018/07/22)

The N-heterocyclic carbene (NHC)-catalyzed trifluoromethylation of α-chloro aldehydes was developed, allowing straightforward access to valuable α-trifluoromethyl ester derivatives. The unique combination of an electrophilic trifluoromethylation reagent with NHC catalysis was the key for the functionalization of a broad range of α-chloro aldehydes, and the products are formed in moderate to good yields. Investigations of the enantioselective version of this reaction afforded the enantioenriched products in moderate yields with good ee values.

Copper-mediated trifluoromethylation of α-diazo esters with TMSCF3: The important role of water as a promoter

Hu, Mingyou,Ni, Chuanfa,Hu, Jinbo

supporting information, p. 15257 - 15260 (2012/10/29)

Copper-mediated trifluoromethylation of α-diazo esters with TMSCF3 reagent has been developed as a new method to prepare α-trifluoromethyl esters. This trifluoromethylation reaction represents the first example of fluoroalkylation of a non-fluorinated carbene precursor. Water plays an important role in promoting the reaction by activating the "CuCF3" species prepared from CuI/TMSCF3/CsF (1.0:1.1:1.1). The scope of this trifluoromethylation reaction is broad, and its efficiency is demonstrated in the synthesis of a variety of aryl-, benzyl-, and alkyl-substituted 3,3,3-trifluoropropanoates.

Preparation of α-Trifluoromethyl Esters from Malonic Esters

Everett, Stephen T.,Purrington, Suzanne T.,Bumgardner, Carl L.

, p. 3702 - 3706 (2007/10/02)

A wide variety of α-trifluoromethyl esters can be synthesized in two steps starting from monosubstituted malonic esters and dibromodifluoromethane.The product of the first step, a bromodifluoromethyl-substituted malonate, is transformed to the desired fin

PREPARATION OF ESTERS CONTAINING AN Α-CF3 GROUP

Purrington, Suzanne, T.,Everett, T. Stephen,Bumgardner, Carl L.

, p. 1329 - 1332 (2007/10/02)

Malonates may be converted to esters containing an α-CF3 group in a two-step process involving bromodifluoromethylation of the malonates followed by decarboxyalkylation-fluorination with fluoride ion in DMSO.

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