371-26-6 Usage
Description
Ethyl 4,4,4-trifluorobutyrate, also known as 4,4,4-Trifluoro Ethyl Ester Butanoic Acid, is an ethyl ester of 4,4,4-tributyric acid. It is characterized as a light yellow liquid and is recognized for its utility as a spin trapping reagent in ESR/EPR spectroscopy. Ethyl 4,4,4-trifluorobutyrate can be synthesized from a Grignard reagent derived from 3-chloro-1,1,1-trifluoropropane.
Uses
Used in Organic Synthesis:
Ethyl 4,4,4-trifluorobutyrate is used as a building block in the field of organic synthesis for creating a variety of complex organic compounds. Its unique trifluoromethyl group and ester functionality make it a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in ESR/EPR Spectroscopy:
In the field of analytical chemistry, Ethyl 4,4,4-trifluorobutyrate is utilized as a spin trapping reagent. This application is particularly relevant for studying short-lived free radicals and reactive species, which are often involved in various chemical reactions and biological processes. The use of this compound in ESR/EPR spectroscopy aids in understanding the mechanisms of these reactions and can contribute to the development of new materials and drugs.
Used in Pharmaceutical Research:
Ethyl 4,4,4-trifluorobutyrate may also find application in the pharmaceutical industry as a precursor to drugs with potential therapeutic properties. The trifluoromethyl group is known to enhance the lipophilicity and metabolic stability of drug molecules, which can lead to improved drug delivery and efficacy.
Used in Material Science:
In the realm of material science, Ethyl 4,4,4-trifluorobutyrate could be employed in the development of novel materials with specific properties, such as enhanced chemical or thermal stability, due to the presence of the trifluoromethyl group. These materials could have applications in various industries, including aerospace, automotive, and electronics.
Synthesis Reference(s)
Tetrahedron Letters, 30, p. 4403, 1989 DOI: 10.1016/S0040-4039(00)99372-9
Check Digit Verification of cas no
The CAS Registry Mumber 371-26-6 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 3,7 and 1 respectively; the second part has 2 digits, 2 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 371-26:
(5*3)+(4*7)+(3*1)+(2*2)+(1*6)=56
56 % 10 = 6
So 371-26-6 is a valid CAS Registry Number.
InChI:InChI=1/C6H9F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2-4H2,1H3
371-26-6Relevant articles and documents
Novel synthesis method for 4,4,4-trifluorobutanol
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Paragraph 0055; 0056; 0057, (2016/10/08)
The invention relates to a novel synthesis method for 4,4,4-trifluorobutanol. The method comprises the following steps: (1) enabling diethyl malonate to be subjected to substitution reaction with 2,2,2-trifluoro ethyl p-toluenesulfonate under the catalysis of a basic catalyst, so as to obtain 2-(2,2,2-trifluoro ethyl)-diethyl malonate; (2) enabling 2-(2,2,2-trifluoro ethyl)-diethyl malonate to be subjected to decarboxylic reaction, so as to obtain 4,4,4-trifluoro ethyl butyrate; and (3) reducing 4,4,4-trifluoro ethyl butyrate by a reduction reagent under the catalysis of a catalyst, thereby obtaining 4,4,4-trifluorobutanol. Compared with the prior art, the method disclosed by the invention has the advantages that the raw materials are cheap and readily-available, the cost is low, the number of synthesis steps is small, the operation is convenient and safe, the aftertreatment is simple, the solvent can be cyclically applied mechanically and is environment-friendly, the reaction yield is high, and the product is high in purity and good in quality and is applicable to industrial application.
Practical asymmetric synthesis of trifluoromethyl-containing aminoester using a modified davis protocol
Alirnardanov, Asaf,Schmid, Jean,Afragola, Jay,Khafizova, Gulnaz
, p. 424 - 428 (2013/01/03)
Practical synthesis of aminoester 1 starting from 1,1,1-trifluoro-3- iodopropane is presented. Use of Ti(Oi-Pr)4 as a Lewis acid for condensation of intermediate aldehyde 8 with (S)-(+)-p-toluenesulfinamide was found to be critical. Conditions for a reproducible and high-yielding Wittig reaction of aldehyde hydrate with phosphorus ylide 4, that appear to have general applicability, are described.
Process for preparing fluorine-containing carboxylic acid ester
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, (2008/06/13)
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