177952-39-5 Usage
Uses
Used in Chromatography:
2,4-Bis(trifluoromethyl)phenylacetic acid is used as a derivatization agent for gas chromatography-mass spectrometry analysis of carboxylic acids, enhancing the detection and analysis of these compounds.
Used in Organic Synthesis:
2,4-Bis(trifluoromethyl)phenylacetic acid is used as a reagent in the synthesis of various organic compounds, contributing to the formation of new chemical entities.
Used in Pharmaceutical Industry:
2,4-Bis(trifluoromethyl)phenylacetic acid is used as a reagent for the synthesis of pharmaceuticals, aiding in the development of new drugs and therapeutic agents.
Used in Medicinal Chemistry:
2,4-Bis(trifluoromethyl)phenylacetic acid is used as a versatile compound in medicinal chemistry, facilitating the discovery and optimization of bioactive molecules.
Used in Agrochemicals:
2,4-Bis(trifluoromethyl)phenylacetic acid is used in the development of agrochemicals, contributing to the creation of new pesticides and other agricultural chemicals.
Used in Materials Science:
2,4-Bis(trifluoromethyl)phenylacetic acid is used in materials science for the synthesis of novel materials with specific properties, such as polymers and other advanced materials.
Check Digit Verification of cas no
The CAS Registry Mumber 177952-39-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,7,9,5 and 2 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 177952-39:
(8*1)+(7*7)+(6*7)+(5*9)+(4*5)+(3*2)+(2*3)+(1*9)=185
185 % 10 = 5
So 177952-39-5 is a valid CAS Registry Number.
InChI:InChI=1/C24H20FNO4/c25-16-11-9-15(10-12-16)13-22(23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)
177952-39-5Relevant academic research and scientific papers
Crystallization-induced asymmetric transformation: stereospecific synthesis of L-768,673
Shi, Yao-Jun,Wells, Kenneth M.,Pye, Philip J.,Choi, Woo-Baeg,Churchill, Hywyn R. O.,et al.
, p. 909 - 918 (2007/10/03)
A highly convergent, asymmetric synthesis of L-768,673, an Iks Class III antiarrythmic drug candidate, is described. Synthesis of the racemic 1-trifluoroethyl-3-amino-5-phenyl benzodiazepinone was achieved by Ru-catalyzed hydrogenation of the corresponding oxime that was derived from commercially available 1-trifluoroethyl-5-phenyl benzodiazepine in 76 percent overall yield. An efficient one-pot resolution-racemization of (+/-)-amine provided the desired (+)-amine as its mandelate salt in 92 percent yield and 99.4 percent ee. Regioselective ortho-lithiation of 1,3-bis(trifluoromethyl)benzene with n-BuLi in the presence of a catalytic amount of 2,2',6,6'-tetramethylpiperidine afforded its aryl lithium. Subsequent transmetalation and alkylation with allyl bromide produced the corresponding olefin. Ru-catalyzed oxidative cleavage of the terminated double bond of the olefin provided the desired 2,4-bis(trifluoromethyl)phenylacetic acid in 35 percent overall yield. A modified Schotten-Baumman procedure was developed for coupling of (+)-amine and the acid to produce L-768,673 in 92 percent yield without racemization. - Keywords: Asymmetric synthesis; Benzodiazepines; Oximes; Resolution-racemization
