3622-40-0

Basic information

• Product Name: 2-BROMO-4-CHLOROBENZOTHIAZOLE
• Synonyms: 2-BROMO-4-CHLOROBENZOTHIAZOLE;Benzothiazole, 2-bromo-4-chloro-;2-broMo-4-chlorobenzo[d]thiazole;2-broMo-4-chloro-1,3-benzothiazole
• CAS NO: 3622-40-0
• Molecular Formula: C₇H₃BrClNS
• Molecular Weight: 248.53
• EINECS: 222-822-0
• Mol File: 3622-40-0.mol
• Article Data: 7

Chemical Properties

• Melting Point: 107-108 °C
• Boiling Point: 330.5 °C at 760mmHg
• Flash Point: 153.7 °C
• Appearance: /
• Density: 1.849 g/cm³
• Vapor Pressure: 0.000318mmHg at 25°C
• Refractive Index: 1.721
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: -2.02±0.10(Predicted)
• CAS DataBase Reference: 2-BROMO-4-CHLOROBENZOTHIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BROMO-4-CHLOROBENZOTHIAZOLE(3622-40-0)
• EPA Substance Registry System: 2-BROMO-4-CHLOROBENZOTHIAZOLE(3622-40-0)

Safety Data

• Hazardous Substances Data: 3622-40-0(Hazardous Substances Data)

Usage

General Description

2-Bromo-4-chlorobenzothiazole is a chemical compound with the formula C7H3BrClNS. It is a heterocyclic compound containing both bromine and chlorine atoms, as well as a benzothiazole ring. This chemical is used as an intermediate in the synthesis of pharmaceuticals and agrochemicals, and can also be used as a building block in the production of specialty chemicals. It is a pale yellow to light brown crystalline solid and is primarily used in research and development applications. 2-Bromo-4-chlorobenzothiazole is known to have potential health hazards, and appropriate safety precautions should be taken when handling and using this compound.

InChI:InChI=1/C7H3BrClNS/c8-7-10-6-4(9)2-1-3-5(6)11-7/h1-3H

Upstream product

• 19952-47-7 4-chlorobenzo[d]thiazol-2-amine 
• 7787-70-4 copper(I) bromide 

Downstream Products

• 39205-62-4 4-chlorobenzo[d]thiazol-2(3H)-one 
• 73443-77-3 4-chloro-2-methoxy-benzothiazole 
• 441712-33-0 trans-4-[1-[[3-chloro-4-(4-chloro-2-benzothiazolyl)aminophenyl]acetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]cyclohexanecarboxylic acid 
• 441714-97-2 C₂₈H₃₀Cl₂FN₃O₄S 
• 4146-23-0 4-chloro-2-methylbenzo[d]thiazole 
• 23420-95-3 (4-chloro-benzothiazol-2-yl)-[4-(2-diethylamino-ethoxy)-phenyl]-amine 

Relevant articles and documents

A General Photocatalytic Route to Prenylation

Prenylation is an essential reaction on which nature relies to modify properties of molecules and build terpenoids, but remains a challenging chemical reaction. Aiming to capitalize on recent advances in photocatalysis to easily and cleanly generate a broad range of carbon based radicals, we have developed a prenyl transfer reagent that is captured by transiently generated radicals. The reagent can be made in bulk, is bench stable, and broadly applicable such that it can be used with existing photocatalytic methods with very few changes to reaction conditions. Ultimately, this provides a true drop-in solution for prenylation, expanding the scope of substrates that can be readily prenylated.

BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS

Disclosed are compounds of Formula (I) to (VIII): (I) (II) (III) (IV) (V) (VI) (VII) (VIII); or a stereoisomer, tautomer, pharmaceutically acceptable salt, solvate or prodrug thereof, wherein R3 is a bicyclic heteroaryl group substituted with zero to 3 R3a; and R1, R2, R3a, R4, and n are defined herein. Also disclosed are methods of using such compounds as PAR4 inhibitors, and pharmaceutical compositions comprising such compounds. These compounds are useful in inhibiting or preventing platelet aggregation, and are useful for the treatment of a thromboembolic disorder or the primary prophylaxis of a thromboembolic disorder.

Identification of trans-4-[1-[[7-fluoro-2-(1-methyl-3-indolyl)-6- benzoxazolyl]acetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]cyclohexanecarboxylic acid as a potent, orally active VLA-4 antagonist

For the purpose of obtaining orally potent VLA-4 inhibitors, we have carried out structural modification of the (N′-phenylureido)phenyl group in compound 1, where the group was found to be attributed to poor pharmacokinetic profile in our previous research. Through modification, we have identified several compounds with both potent in vitro activity and improved oral exposure. In particular, compound 7e with 7-fluoro-2-(1-methyl-1H-indol-3- yl)-1,3-benzoxazolyl group as a novel replacement of the (N′-phenylureido) phenyl group significantly inhibited eosinophil infiltration into bronchoalveolar lavage fluid at 15 mg/kg in an Ascaris-antigen-induced murine bronchial inflammatory model, and its efficacy was comparable to that of the anti-mouse α4 antibody (R1-2).