716-31-4 Usage
Uses
Used in Pharmaceutical Industry:
5-Methoxy-2-(trifluoromethyl)benzoic acid is used as a key intermediate for the synthesis of various pharmaceuticals. Its trifluoromethyl and methoxy groups contribute to the development of new drugs with improved pharmacological properties, such as enhanced bioavailability, selectivity, and potency.
Used in Agrochemical Industry:
In the agrochemical industry, 5-Methoxy-2-(trifluoromethyl)benzoic acid is utilized as a precursor for the synthesis of agrochemicals, including pesticides and herbicides. Its unique structure and properties enable the creation of novel compounds with increased effectiveness and selectivity in controlling pests and weeds.
Used in Organic Synthesis:
5-Methoxy-2-(trifluoromethyl)benzoic acid is employed as a reagent in organic synthesis, facilitating the preparation of a wide range of organic compounds. Its presence in the synthesis process can lead to the formation of new functionalized aromatic compounds with diverse applications in various fields.
Used in Chemical Research:
As a highly versatile intermediate, 5-Methoxy-2-(trifluoromethyl)benzoic acid is used in chemical research to explore its potential applications and properties. Researchers leverage its unique structure to investigate new synthetic pathways, reaction mechanisms, and the development of innovative compounds with specific functions.
Used in Material Science:
5-Methoxy-2-(trifluoromethyl)benzoic acid is also utilized in material science for the development of new materials with tailored properties. Its incorporation into polymers, coatings, and other materials can enhance their performance, stability, and applicability in various industries, such as electronics, automotive, and aerospace.
Check Digit Verification of cas no
The CAS Registry Mumber 716-31-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,1 and 6 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 716-31:
(5*7)+(4*1)+(3*6)+(2*3)+(1*1)=64
64 % 10 = 4
So 716-31-4 is a valid CAS Registry Number.
InChI:InChI=1/C9H7F3O3/c1-15-5-2-3-7(9(10,11)12)6(4-5)8(13)14/h2-4H,1H3,(H,13,14)
716-31-4Relevant academic research and scientific papers
Trifluoromethylation of aryl and heteroaryl halides with fluoroform-derived CuCF3: Scope, limitations, and mechanistic features
Lishchynskyi, Anton,Novikov, Maxim A.,Martin, Eddy,Escudero-Adan, Eduardo C.,Novak, Petr,Grushin, Vladimir V.
, p. 11126 - 11146 (2013/12/04)
Fluoroform-derived CuCF3 recently discovered in our group exhibits remarkably high reactivity toward aryl and heteroaryl halides, performing best in the absence of extra ligands. A broad variety of iodoarenes undergo smooth trifluoromethylation with the ligandless CuCF3 at 23-50 C to give the corresponding benzotrifluorides in nearly quantitative yield. A number of much less reactive aromatic bromides also have been trifluoromethylated, including pyridine, pyrimidine, pyrazine, and thiazole derivatives as well as aryl bromides bearing electron-withdrawing groups and/or ortho substituents. Only the most electrophilic chloroarenes can be trifluoromethylated, e.g., 2-chloronicotinic acid. Exceptionally high chemoselectivity of the reactions (no side-formation of arenes, biaryls, and C2F5 derivatives) has allowed for the isolation of a large number of trifluoromethylated products in high yield on a gram scale (up to 20 mmol). The CuCF3 reagent is destabilized by CuX coproduced in the reaction, the magnitude of the effect paralleling the Lewis acidity of CuX: CuCl > CuBr > CuI. While SNAr and SRN1 mechanisms are not operational, there is a well-pronounced ortho effect, i.e., the enhanced reactivity of ortho-substituted aryl halides 2-RC6H4X toward CuCF3. Intriguingly, this ortho-effect is observed for R = NO2, COOH, CHO, COOEt, COCH3, OCH3, and even CH3, but not for R = CN. The fluoroform-derived CuCF3 reagent and its reactions with haloarenes provide an unmatched combination of reactivity, selectivity, and low cost.
