157026-19-2

Basic information

• Product Name: 5-BROMO-2,3-DIAMINOBENZOTRIFLUORIDE
• Synonyms: 5-BROMO-2,3-DIAMINOBENZOTRIFLUORIDE;5-Bromo-2,3-diaminobenzotrifluoride 97%;5-BroMo-3-(trifluoroMethyl)-1,2-benzenediaMine;5-Bromo-3-(trifluoromethyl)benzene-1,2-diamine;5-broMo-3-(trifluoroMethyl)benzene-1;2-Amino-4-bromo-6-(trifluoromethyl)phenylamine;5-Bromo-2,3-diaminobenzotrifluoride97%
• CAS NO: 157026-19-2
• Molecular Formula: C₇H₆BrF₃N₂
• Molecular Weight: 255.0351496
• Mol File: 157026-19-2.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 268.801 °C at 760 mmHg
• Flash Point: 116.367 °C
• Appearance: /
• Density: 1.775 g/cm³
• Vapor Pressure: 0.008mmHg at 25°C
• Refractive Index: 1.574
• Storage Temp.: 2-8°C(protect from light)
• PKA: 1.87±0.10(Predicted)
• CAS DataBase Reference: 5-BROMO-2,3-DIAMINOBENZOTRIFLUORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-BROMO-2,3-DIAMINOBENZOTRIFLUORIDE(157026-19-2)
• EPA Substance Registry System: 5-BROMO-2,3-DIAMINOBENZOTRIFLUORIDE(157026-19-2)

Safety Data

• Hazardous Substances Data: 157026-19-2(Hazardous Substances Data)

Usage

General Description

5-Bromo-2,3-diaminobenzotrifluoride is a chemical compound that is used in the synthesis of various pharmaceuticals and organic compounds. It is commonly used as a building block in drug development and as a reagent in organic synthesis. 5-BROMO-2,3-DIAMINOBENZOTRIFLUORIDE is also known for its ability to modify protein structures and has potential applications in drug discovery. Additionally, 5-Bromo-2,3-diaminobenzotrifluoride is widely used in the research and development of new chemical compounds and pharmaceutical products. Overall, this compound plays a crucial role in the field of medicinal chemistry and drug development.

InChI:InChI=1/C7H6BrF3N2/c8-3-1-4(7(9,10)11)6(13)5(12)2-3/h1-2H,12-13H2

Upstream product

• 157026-18-1 4-bromo-2-nitro-6-trilfuoromethyl-phenylamine 
• 105172-74-5 3-bromo-5-nitro-6-chlorobenzotrifluoride 
• 179062-00-1 N-(4-bromo-2-nitro-6-trifluoromethyl-phenyl)-acetamide 
• 29124-62-7 N-(4-bromo-2-trifluoromethyl-phenyl)-acetamide 
• 445-02-3 4-bromo-2-trifluoromethyl-aniline 

Downstream Products

• 1326309-48-1 4-{[6-cyclopropyl-1-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]carbonyl}-1-(trans-4-hydroxycyclohexyl)-2-piperazinone 
• 1352342-28-9 C₁₈H₁₃F₃N₂O₂ 
• 1352342-27-8 C₁₈H₁₂ClF₃N₂O₂ 
• 1352342-26-7 C₁₈H₁₃F₃N₂O₃ 

Relevant articles and documents

CYCLIC COMPOUNDS AND USES THEREOF

The invention generally relates to substituted benzothiophenyl, substituted benzothiazolyl, substituted indolyl and substituted benzoimidazolyl compounds and, more particularly, to a compound represented by Structural Formula I: or a pharmaceutically acceptable salt thereof, wherein the variables are as defined and described herein. The invention also includes the synthesis and use of a compound of Structural Formula I, or a pharmaceutically acceptable salt or composition thereof, e.g., in the treatment of a disease or disorder selected from cancer (e.g., lymphoma, such as mantle cell lymphoma), a neurodegenerative disease, inflammatory diseases or an autoimmune system disease (e.g., a T-Cell mediated autoimmune disesase).

An efficient synthetic process for scale-up production of 4,5-diamino-2- (trifluoromethyl)benzonitrile and 5-bromo-3-(trifluoromethyl)benzene-1,2-diamine

Starting from 4-amino-2-(trifluoromethyl)benzonitrile (6), an efficient and nonchromatographic process was developed for multihundred gram production of 4,5-diamino-2-(trifluoromethyl)- benzonitrile (1) in 73% yield and 98 HPLC area% purity over four synthetic steps. The same synthetic strategy was applied to 4-bromo-2-(trifluoromethyl)aniline (7) that afforded 5-bromo-3- (trifluoromethyl)benzene-1,2-diamine (5) in 81% overall yield and 99% HPLC area% purity.

Substituted benzimidazoles

The invention relates to new substituted benzimidazoles of the general formula (I) STR1 in which R1 represents hydrogen, alkyl, alkoxy or optionally substituted aryl, R2 represents hydroxyl, cyano or in each case optionally substituted alkyl, alkenyl, alkinyl, alkoxy, alkenyloxy, alkinyloxy, alkylthio, amino, aminocarbonyl, alkylcarbonyl, alkoxycarbonyl, alkylcarbonyloxy, dialkoxyphosphonyl, (hetero)aryl, (hetero)arylcarbonyl, (hetero)aryloxycarbonyl, (hetero)arylcarbonyloxy or (hetero)arylaminocarbonylaminocarbonyloxy, and R3 represents fluoroalkyl, X1, X2, X3 and X4 independently of one another in each case represent hydrogen, halogen, cyano, nitro, in each case optionally substituted alkyl, alkoxy, alkylthio, alkylsulphinyl, alkylsulphonyl or cycloalkyl, optionally substituted, fused dioxyalkylene, or represent hydroxycarbonyl, alkylcarbonyl, alkoxycarbonyl or cycloalkyloxycarbonyl, in each case optionally substituted amino or aminocarbonyl or in each case optionally substituted aryl, aryloxy, arylthio, arylsulphinyl, arylsulphonyl, arylsulphonyloxy, arylcarbonyl, aryloxycarbonyl, arylazo or arylthiomethylsulphonyl, but where at least one of the substituents X1, X2, X3 or X4 represents halogenoalkyl, with the exception of the chloromethyl radical, halogenoalkoxy, halogenoalkylthio, halogenoalkylsulphinyl, halogenoalkylsulphonyl or alkylsulphonyl, optionally substituted, fused dioxyalkylene, or represent hydroxycarbonyl, alkylcarbonyl, alkoxycarbonyl or cycloalkyloxycarbonyl, in each case optionally substituted amino or aminocarbonyl, or in each case optionally substituted aryl, arylthio, arylsulphinyl, arylsulphonyl, arylsulphonyloxy, arylcarbonyl, aryloxycarbonyl, arylazo or arylthiomethylsulphonyl, their preparation and use as pesticides, and intermediates for their preparation.