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Benzenepropanoic acid, α-(trifluoromethyl)-, also known as 3-(trifluoromethyl)benzenepropanoic acid or α-(trifluoromethyl)benzenepropanoic acid, is an organic compound with the chemical formula C10H9F3O2. It is a derivative of benzenepropanoic acid, featuring a trifluoromethyl group (-CF3) attached to the α-carbon atom. Benzenepropanoic acid, a-(trifluoromethyl)- is a white crystalline solid with a melting point of 85-87°C. It is used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals. Due to its unique structure, it exhibits interesting properties such as enhanced lipophilicity and metabolic stability, making it a valuable building block in the development of new drugs and chemical compounds.

113684-86-9

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113684-86-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 113684-86-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,3,6,8 and 4 respectively; the second part has 2 digits, 8 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 113684-86:
(8*1)+(7*1)+(6*3)+(5*6)+(4*8)+(3*4)+(2*8)+(1*6)=129
129 % 10 = 9
So 113684-86-9 is a valid CAS Registry Number.

113684-86-9Downstream Products

113684-86-9Relevant academic research and scientific papers

Rhodium(III)-catalyzed β-arylation and- alkenylation of α-trifluoromethylacrylic acid

Yoshimoto, Risa,Usuki, Yoshinosuke,Satoh, Tetsuya

, p. 461 - 464 (2019)

The β-arylation and - alkenylation of trifluoromethylacrylic acid with arylboronic acids and alkenes proceed smoothly under rhodium(III) catalysis. The procedures provide useful synthetic routes from readily available building brocks to β-aryl-α-trifluoromethylpropanoic acid and 5, 5, 5-trifluoro-1, 3-butadiene derivatives. Some of the obtained butadienes exhibit strong fluorescence in the solid state.

Preparation of trifluoromethylated dihydrocoumarins, indanones, and arylpropanoic acids by tandem superacidic activation of 2-(Trifluoromethyl) acrylic acid with arenes

Prakash, G. K. Surya,Paknia, Farzaneh,Vaghoo, Habiba,Rasul, Golam,Mathew, Thomas,Olah, George A.

supporting information; experimental part, p. 2219 - 2226 (2010/06/15)

Chemical Reaction Reprentation Indanones and coumarins are important intermediates for the convenient synthesis of many pharmaceutical and biologically active compounds. Fluoroorganics play a vital role in the design of very effective therapeutics due to significant enhancenment in their lipophilicity, bioavailability, and fast uptake by the presence of fluorine in these molecules. Herein, we report an efficient one-pot synthesis of trifluoromethylated arylpropanoic acids, indanones, and dihydrocoumarins using Friedel-Crafts alkylation or tandem Friedel-Crafts alkylation-cycloacylation of arenes/phenols with 2-(trifluoromethyl)acrylic acid under superacidic conditions using trifluoromethanesulfonic acid. The results have been rationalized by the structure energy calculations of the involved reaction intermediates using ab initio theoretical methods.

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