107317-58-8

Basic information

• Product Name: Methyl 4-Bromo-3-(Trifluoromethyl)benzoate
• Synonyms: Methyl 4-Bromo-3-(Trifluoromethyl)benzoate;4-Bromo-3-(trifluoromethyl)benzoicacidmethylest;Methyl 4-Bromo-3-trifluoromethyl benzonate;4-BroMo-3-(trifluoroMethyl)benzoic acid Methyl ester;2-Bromo-5-(methoxycarbonyl)benzotrifluoride;Methyl 4-bromo-3-(trifluoromethyl)benzoate 98%;2-Bromo-5-(methoxycarbonyl)benzotrifluoride, Methyl 4-bromo-alpha,alpha,alpha-trifluoro-m-toluate;Benzoic acid,4-broMo-3-(trifluoroMethyl)-, Methyl ester
• CAS NO: 107317-58-8
• Molecular Formula: C₉H₆BrF₃O₂
• Molecular Weight: 283.05
• Mol File: 107317-58-8.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 274℃
• Flash Point: 120℃
• Appearance: white crystal powder
• Density: 1.598
• Vapor Pressure: 0.00555mmHg at 25°C
• Refractive Index: 1.484
• Storage Temp.: 2-8°C
• CAS DataBase Reference: Methyl 4-Bromo-3-(Trifluoromethyl)benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 4-Bromo-3-(Trifluoromethyl)benzoate(107317-58-8)
• EPA Substance Registry System: Methyl 4-Bromo-3-(Trifluoromethyl)benzoate(107317-58-8)

Safety Data

• Hazardous Substances Data: 107317-58-8(Hazardous Substances Data)

Usage

General Description

Methyl 4-Bromo-3-(Trifluoromethyl)benzoate is a chemical compound with the molecular formula C9H6BrF3O2. It is an organic compound that is commonly used in the field of pharmaceuticals and agrochemicals. Methyl 4-Bromo-3-(Trifluoromethyl)benzoate is a derivative of benzoic acid and contains a bromine atom and a trifluoromethyl group attached to the benzene ring. It has a white to light yellow appearance and is insoluble in water, but soluble in organic solvents. Methyl 4-Bromo-3-(Trifluoromethyl)benzoate is used as an intermediate in the synthesis of various pharmaceutical and agrochemical products, and its unique chemical properties make it valuable in the production of these compounds.

InChI:InChI=1/C9H6BrF3O2/c1-15-8(14)5-2-3-7(10)6(4-5)9(11,12)13/h2-4H,1H3

Upstream product

• 1735-53-1 4-bromo-3-(trifluoromethyl)benzonitrile 
• 623-00-7 4-bromobenzenecarbonitrile 
• 619-42-1 4-methoxycarbonylphenyl bromide 
• 76-05-1 trifluoroacetic acid 
• 186581-53-3 diazomethane 
• 161622-14-6 4-bromo-3-(trifluoromethyl)benzoic acid 
• 74-88-4 methyl iodide 
• 1257231-51-8 methyl 4-bromo-3-iodo-benzoate 
• 14353-88-9 iodopentafluorobenzene bis(trifluoroacetate) 
• 142031-67-2 methyl 4-bromo-3-(bromomethyl)benzoate 
• 148547-19-7 4-Bromo-3-methylbenzoic acid methyl ester 
• 1196973-59-7 methyl 2'-ethyl-2-(methoxymethyl)-1,1'-biphenyl-4-carboxylate 
• 1141473-84-8 methyl 4-bromo-3-(methoxymethyl)benzoate 
• 67-56-1 methanol 

Downstream Products

• 957207-06-6 (3,4-bis(trifluoromethyl)phenyl)methanol 
• 957207-09-9 (4-bromo-3-(trifluoromethyl)phenyl)methanol 
• 1140462-00-5 methyl 4-(4-methyl-3-thienyl)-3-(trifluoromethyl)benzoate 
• 1371589-09-1 methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzoate 
• 1355157-92-4 2-(2-hydroxy-1-(4-(5-(2'-methyl-2-(trifluoromethyl)biphenyl-4-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethylamino)acetic acid 
• 1355157-91-3 2-((2-methoxy-1-(4-(5-(2'-methyl-2-(trifluoromethyl)biphenyl-4-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)(methyl)amino)acetic acid 
• 1355159-99-7 tert-butyl N-[2-hydroxy-1-(4-{5-[2'-methyl-2-(trifluoromethyl)biphenyl-4-yl]-1,2,4-oxadiazol-3-yl}phenyl)ethyl]-D-alaninate 
• 1355159-98-6 tert-butyl N-[2-{[tert-butyl(dimethyl)silyl]oxy}-1-(4-{5-[2'-methyl-2-(trifluoromethyl)biphenyl-4-yl]-1,2,4-oxadiazol-3-yl}phenyl)ethyl]-D-alaninate 
• 1355159-87-3 tert-butyl N-[2-hydroxy-1-(4-{5-[2'-methyl-2-(trifluoromethyl)biphenyl-4-yl]-1,2,4-oxadiazol-3-yl}phenyl)ethyl]glycinate 
• 1355159-86-2 tert-butyl N-[2-methoxy-1-(4-{5-[2'-methyl-2-(trifluoromethyl)biphenyl-4-yl]-1,2,4-oxadiazol-3-yl}phenyl)ethyl]-N-methylglycinate 
• 1355254-60-2 tert-butyl [(1R)-1-(4-{(Z)-amino[({[2'-methyl-2-(trifluoromethyl)biphenyl-4-yl]carbonyl}oxy)imino]methyl}phenyl)ethyl]carbamate 
• 1355159-11-3 tert-butyl [(1R)-1-(4-{5-[2'-methyl-2-(trifluoromethyl)biphenyl-4-yl]-1,2,4-oxadiazol-3-yl}phenyl)ethyl]carbamate 
• 1355159-10-2 (1R)-1-(4-{5-[2'-methyl-2-(trifluoromethyl)biphenyl-4-yl]-1,2,4-oxadiazol-3-yl}phenyl)ethanamine 
• 1204331-26-9 4-(4-methoxycarbonyl-2-trifluoromethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester 

Relevant articles and documents

SELECTIVE FLUORESCENT PROBE FOR ALDEHYDE DEHYDROGENASE

High aldehyde dehydrogenase 1A1 (ALDH1A1) activity has emerged as a reliable marker for the identification of both normal and cancer stem cells. Herein, is presented AlDeSense, a turn-on green fluorescent probe for aldehyde dehydrogenase 1A1 (ALDH1A1) and Ctrl-AlDeSense, a matching non-responsive reagent. AlDeSense exhibits a 20-fold fluorescent enhancement when treated with ALDH1A1. Through the application of surface marker antibody staining, tumorsphere assays, and assessment of tumorigenicity, the disclosed results show that cells exhibiting high AlDeSense signal intensity have properties of cancer stem cells. Herein, is also reported the development of a red congener, red-AlDeSense. Importantly, red-AlDeSense represents one of only a few examples of a turn-on sensor in the red region using the d-PeT quenching mechanism.

RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF

Provided herein are a RET inhibitor, a pharmaceutical composition thereof and uses thereof. In particular, provided is a compound having Formula (I) or a stereoisomer, a geometric isomer, a tautomer, an N-oxide, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof. Provided is a pharmaceutical composition comprising the compound, and uses of the compound and pharmaceutical composition thereof for the preparation of a medicament, in particular for treatment and prevention of RET-related diseases and conditions, including cancer, irritable bowel syndrome, and/or pain associated with irritable bowel syndrome.

Visible-Light photoredox decarboxylation of perfluoroarene iodine(III) Trifluoroacetates for C-H trifluoromethylation of (Hetero)arenes

A scalable and operationally simple decarboxylative trifluoromethylation of (hetero)arenes with easily accessible C6F5I(OCOCF3)2 under photoredox catalysis has been developed. This method is tolerant of various (hetero)arenes and functional groups. Notably, C6F5I is recycled from the decarboxylation reaction and further used for the preparation of C6F5I(OCOCF3)2. The combination of photoredox catalysis and hypervalent iodine reagent provides a practical approach for the application of trifluoroacetic acid in trifluoromethylation reactions.