454-79-5 Usage
Description
2-Bromo-5-(trifluoromethyl)aniline is an organic compound characterized by the presence of a bromine atom at the 2nd position and a trifluoromethyl group at the 5th position on an aniline molecule. 2-Bromo-5-(trifluoromethyl)aniline exhibits unique chemical properties due to the presence of both electron-withdrawing and electron-donating groups, making it a versatile building block in organic synthesis.
Uses
Used in Pharmaceutical Industry:
2-Bromo-5-(trifluoromethyl)aniline is used as a key intermediate in the synthesis of various pharmaceutical compounds, particularly for the development of inhibitors targeting the hepatitis C virus (HCV) NS3 protease. Its unique structural features contribute to the design and optimization of potent and selective inhibitors, which can potentially lead to effective treatments for HCV infections.
Additionally, due to its reactivity and structural diversity, 2-Bromo-5-(trifluoromethyl)aniline can be employed in the synthesis of other bioactive molecules, further expanding its applications in the pharmaceutical industry for the development of novel therapeutic agents.
Check Digit Verification of cas no
The CAS Registry Mumber 454-79-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,5 and 4 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 454-79:
(5*4)+(4*5)+(3*4)+(2*7)+(1*9)=75
75 % 10 = 5
So 454-79-5 is a valid CAS Registry Number.
InChI:InChI=1/C7H6F3NO/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3,12H,11H2
454-79-5Relevant articles and documents
Cu-mediated selective bromination of aniline derivatives and preliminary mechanism study
Zhao, Hong-Yi,Yang, Xue-Yan,Lei, Hao,Xin, Minhang,Zhang, San-Qi
supporting information, p. 1406 - 1415 (2019/05/01)
A simple and efficient bromination of aniline, aniline derivatives, and analogs have been developed. Forty three examples were given and the highest yield reached was 98%. Different substrates including substituted aniline, pyridin-amine, N-substituted aniline, N,N-disubstituted aniline, N-phenyl-amide, N-phenyl-sulfonamide, and nitrogen-containing heterocycles were all reactive and selectively generated desired bromo-products. The method can be applied to synthesize drug intermediate and quinoxaline derivatives.
Electrophilic bromination of meta-substituted anilines with N-bromosuccinimide: Regioselectivity and solvent effect
Bartoli, Sandra,Cipollone, Amalia,Squarcia, Antonella,Madami, Andrea,Fattori, Daniela
experimental part, p. 1305 - 1308 (2009/12/24)
N-Bromosuccinimide-mediated electrophilic aromatic bromination of a series of anilines substituted with an electron-with-drawing group in the meta position was investigated. The regioselectivity of the reaction is markedly dependent on the polarity of the solvent and the bromination reaction can be tuned by appropriate selection of the reaction medium. Georg Thieme Verlag Stuttgart.
THE EFFECT OF ALKYL SUBSTITUTION IN DRUGS.
VAN DER STELT,FUNCKE,NAUTA
, p. 964 - 967 (2007/10/04)
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