177420-63-2

Basic information

• Product Name: Benzoic acid, 2-broMo-3-(trifluoroMethyl)-
• Synonyms: Benzoic acid, 2-broMo-3-(trifluoroMethyl)-;2-Bromo-3-carboxybenzotrifluoride, 2-Bromo-alpha,alpha,alpha-trifluoro-m-toluic acid;2-bromo-3-(trifluoromethyl)benzoic aicd
• CAS NO: 177420-63-2
• Molecular Formula: C8H4BrF3O2
• Molecular Weight: 269.0153696
• Mol File: 177420-63-2.mol
• Article Data: 5

Chemical Properties

• Appearance: /Solid
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Water Solubility: Slightly soluble in water.
• CAS DataBase Reference: Benzoic acid, 2-broMo-3-(trifluoroMethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 2-broMo-3-(trifluoroMethyl)-(177420-63-2)
• EPA Substance Registry System: Benzoic acid, 2-broMo-3-(trifluoroMethyl)-(177420-63-2)

Safety Data

• Hazardous Substances Data: 177420-63-2(Hazardous Substances Data)

Usage

Description

Benzoic acid, 2-bromo-3-(trifluoromethyl)-, is an organic compound derived from benzoic acid with a bromine atom at the 2nd position and a trifluoromethyl group at the 3rd position. It is characterized by its unique chemical structure and properties, making it a valuable intermediate in various applications.

Uses

Used in Pharmaceutical Industry:
Benzoic acid, 2-bromo-3-(trifluoromethyl)-, is used as an intermediate in the synthesis of pharmaceutical compounds. Its unique structure allows for the development of new drugs with potential therapeutic applications.
Used in Chemical Research:
Benzoic acid, 2-bromo-3-(trifluoromethyl)-, is also utilized in chemical research for the development of novel chemical compounds and materials. Its reactivity and functional groups make it a versatile building block for creating new molecules with specific properties and applications.

Upstream product

• 124-38-9 carbon dioxide 
• 392-83-6 o-trifluoromethylphenyl bromide 
• 493038-92-9 1,2-dibromo-3-trifluoromethylbenzene 
• 313-12-2 2-amino-3-(trifluoromethyl)benzoic acid 
• 64321-95-5 methyl 2-amino-3-trifluoromethyl-benzoate 
• 1214362-28-3 methyl 2-bromo-3-(trifluoromethyl)benzoate 

Downstream Products

• 1114808-95-5 2-bromo-3-(trifluoromethyl)benzaldehyde 
• 1214362-28-3 methyl 2-bromo-3-(trifluoromethyl)benzoate 

Relevant articles and documents

Halogen-metal exchange of 3-substituted 1,2-dibromoarenes: The use of long-range JCH coupling constants to determine regiochemistry

Regioselective halogen/metal exchange reactions were carried out on a series of 3-substituted-1,2-dibromoarenes. Product mixtures were quenched with CO2 to form the corresponding benzoic acid analogs to facilitate HPLC and NMR analysis. Substitution at the 3-position could readily be assigned on the basis of 2D HMBC long-range correlations, while assignment at the 2-position was not as straightforward. The use of three-bond JCH coupling constant measurements, extracted from 1-D 1H coupled 13C experiments, were necessary to render unequivocal regio assignments. Copyright

INHIBITORS OF STEAROYL-COA DESATURASE

Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as, for example, obesity.

Reagent-modulated optional site selectivities: The metalation of o-, m- and p-halobenzotrifluorides

Chloro(trifluoromethyl)benzenes and bromo(trifluoromethyl)benzenes undergo deprotonation at a position adjacent to the single halogen substituent when treated with alkyllithiums (at -75°C) and, respectively, lithium 2,2,6,6-tetramethylpiperidide (at -100°C) in tetrahydrofuran. Positional ambiguities, if existing, can be exploited to establish optional site selectivities. Thus, butyllithium reacts with 1-chloro-3-(trifluoromethyl)benzene under hydrogen/metal interconversion at the 2-position whereas sec-butyllithium attacks exclusively the 6-position. The latter mode of regioselectivity is also exhibited by 1-bromo-3-(trifluoromethyl)benzene in the presence of lithium 2,2,6,6-tetramethylpiperidide, only 2-bromo-4-(trifluoromethyl)phenyllithium being produced. 2-Bromo-6-(trifluoromethyl)phenyllithium is directly inaccessible, but is formed when 2-bromo-3-(trifluoromethyl)phenyllithium, generated at -100°C, is allowed to isomerize at -75°C.