7745-91-7

Basic information

• Product Name: 3-Bromo-4-methylaniline
• Synonyms: 3-BROMO-4-METHYLANILINE;3-BROMO-P-TOLUIDINE;3-BROMO-PARA-TOLUIDINE;3-Bromo-4-methylbenzenamine;8CI.4-Amino-2-bromotolueneCh;9CI.3-Bromo-p-toluidine;3-Bromo-4-methyl-1-benzenamine;3-Bromo-4-methylbenzen-1-amine
• CAS NO: 7745-91-7
• Molecular Formula: C7H8BrN
• Molecular Weight: 186.05
• EINECS: 231-807-8
• Product Categories: Anilines, Aromatic Amines and Nitro Compounds;Anilines, Amides & Amines;Bromine Compounds;Amines;Aromatics;Building Blocks;C7;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks
• Mol File: 7745-91-7.mol
• Article Data: 14

Chemical Properties

• Melting Point: 27-30 °C(lit.)
• Boiling Point: 254-257 °C(lit.)
• Flash Point: >230 °F
• Appearance: Clear yellow to red-brown/Liquid After Melting
• Density: 1.4700 (rough estimate)
• Vapor Pressure: 0.0138mmHg at 25°C
• Refractive Index: 1.611-1.613
• Storage Temp.: Refrigerator
• Solubility: DMSO, Methanol
• PKA: 3.96±0.10(Predicted)
• Water Solubility: Insoluble in water.
• BRN: 1562057
• CAS DataBase Reference: 3-Bromo-4-methylaniline(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Bromo-4-methylaniline(7745-91-7)
• EPA Substance Registry System: 3-Bromo-4-methylaniline(7745-91-7)

Safety Data

• Hazard Codes: T
• Statements: 25-36/37/38
• Safety Statements: 26-45-37/39-28A
• RIDADR: UN 2811 6.1/PG 3
• WGK Germany: 3
• RTECS: XU4375000
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 7745-91-7(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 7745-91-7 differently. You can refer to the following data:
1. 3-Bromo-4-methylaniline is used in the synthesis of 1,7-dihalo Tr?ger?s base isomers. It is suitable for use to investigate the reactions of distonic 4-(N,N,N-trimethylammonium)-2-methylphenyl and 5-(N,N,N-trimethylammonium)-2-methylphenyl radical cations with O2 by ion-trap mass spectrometry.
2. 3-Bromo-4-methylaniline may be used in the synthesis of 1,7-dihalo Tr?ger′s base isomers. It is suitable for use to investigate the reactions of distonic 4-(N,N,N-trimethylammonium)-2-methylphenyl and 5-(N,N,N-trimethylammonium)-2-methylphenyl radical cations with O2 by ion-trap mass spectrometry.

InChI:InChI=1/C7H8BrN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3

Upstream product

• 106-49-0 p-toluidine 
• 7664-93-9 sulfuric acid 
• 7726-95-6 bromine 
• 99-55-8 2-methyl-5-nitroaniline 
• 99-99-0 1-methyl-4-nitrobenzene 
• 7745-93-9 2-bromo-4-nitrotoluene 
• 827-32-7 4-bromo-5-methyl-2-nitrophenylamine 
• 7647-01-0 hydrogenchloride 
• 76274-13-0 bis-(3-bromo-4-methyl-phenyl)-diazene 

Downstream Products

• 99980-66-2 3-bromo-N,N-bis-(2-hydroxy-ethyl)-4-methyl-aniline 
• 53104-16-8 3-bromo-N,N,4-trimethylaniline 
• 597545-14-7 3-bromo-4-methyl-phenyl isothiocyanate 
• 31543-75-6 2,4-dibromotoluene 
• 60710-39-6 3-bromo-p-cresol 
• 42872-74-2 3-bromo-4-methyl-benzonitrile 
• 40371-61-7 N-(3-bromo-4-methyl-phenyl)acetamide 
• 65513-45-3 5-bromo-6-methylquinoline 
• 23747-85-5 1-(3-Bromo-4-methyl-phenyl)-3-(4-trifluoromethyl-phenyl)-urea 
• 1422-53-3 2-bromo-4-fluorotoluene 
• 116598-91-5 N-(3-bromo-4-methylphenyl)methanesulfonamide 
• 147149-83-5 N-(3-bromo-4-methyl-phenyl)-2-hydroxyimino-acetamide 
• 50670-64-9 3-cyano-4-methylaniline 
• 304667-90-1 N-(3-bromo-4-methylphenyl)-4-methylbenzenesulfonamide 

Relevant articles and documents

Preparation method of 2 -bromo -4-chlorobenzaldehyde

The invention relates to a preparation method of 2 -bromo -4-chlorobenzaldehyde and belongs to the field of medicinal chemistry. The preparation method can obtain 2 -bromo -4-chlorobenzaldehyde by taking nitrotoluene as a starting material through substitution, reduction, substitution, substitution, substitution, hydrolysis and elimination reaction. Compared with the prior art, the method shortens the reaction time, the reaction temperature is higher 120 °C or higher, the reaction conditions are mild, the yield of the obtained product is about 70% and more than 90%. The reaction temperature is reduced, high-boiling-point solvent is not needed to participate in the reaction, the post-treatment is simple, and the method is more suitable for industrial production with strict safety and environmental protection.

Iridium-catalyzed transfer hydrogenation of nitroarenes to anilines

A simple and general homogeneous catalyst system composed of commercially available [Ir(cod)Cl]2 and 1,10-phenanthroline has been developed for the selective transfer hydrogenation of nitroarenes to anilines. It utilized the readily accessible 2-propanol as a hydrogen donor and had wide substrate scope. A careful mechanistic investigation through real-time detection and a series of controlled experiments with possible intermediates was also carried out, which showed that the transformation proceeds via both phenylhydroxylamine and azobenzene intermediates and the reduction of hydrazobenzene leading to aniline might be the rate-determining step.

Structure elucidation and enantioselective total synthesis of the HMG-CoA reductase inhibitors FR901512 and FR901516

The enantioselective total synthesis of the potent HMGCoA reductase inhibitors FR901512 (1) and FR901516 (2) is reviewed. FR901512 was prepared in 15 steps from commercially available compound via 2 in 16.3% overall yield (89% average yield). This study validated the applicability and reliability of the catalytic asymmetric Nozaki-Hiyama reactions that were developed by us. These reactions enabled the concise, efficient, and protecting-group-free enantioselective total syntheses of these new statins.