2295-38-7

Basic information

• Product Name: 2-(PYRIDIN-4-YL)BENZO[D]THIAZOLE
• Synonyms: 2-(PYRIDIN-4-YL)BENZO[D]THIAZOLE;Benzothiazole, 2-(4-pyridinyl)- (9CI);2-Pyridin-4-yl-benzothiazole;2-(4-pyridyl)-1,3-benzothiazole;2-pyridin-4-yl-1,3-benzothiazole
• CAS NO: 2295-38-7
• Molecular Formula: C₁₂H₈N₂S
• Molecular Weight: 212.27
• Product Categories: BENZOTHIAZOLE
• Mol File: 2295-38-7.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 393 °C at 760 mmHg
• Flash Point: 188.4 °C
• Appearance: /
• Density: 1.288 g/cm³
• Vapor Pressure: 5E-06mmHg at 25°C
• Refractive Index: 1.693
• CAS DataBase Reference: 2-(PYRIDIN-4-YL)BENZO[D]THIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(PYRIDIN-4-YL)BENZO[D]THIAZOLE(2295-38-7)
• EPA Substance Registry System: 2-(PYRIDIN-4-YL)BENZO[D]THIAZOLE(2295-38-7)

Safety Data

• Hazardous Substances Data: 2295-38-7(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Journal of Medicinal Chemistry, 39, p. 3375, 1996 DOI: 10.1021/jm9600959Journal of the American Chemical Society, 76, p. 127, 1954 DOI: 10.1021/ja01630a035

InChI:InChI=1/C12H8N2S/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-8H

Upstream product

• 108-89-4 picoline 
• 62-53-3 aniline 
• 4664-08-8 cinchomeronic anhydride 
• 100-43-6 4-vinylpyridine 
• 95-16-9 1,3-Benzothiazole 
• 98-95-3 nitrobenzene 

Downstream Products

• 111296-79-8 4-benzothiazol-2-yl-1-(2,6-dichloro-benzyl)-pyridinium; bromide 
• 51784-41-9 4-(benzo[d]thiazol-2-yl)-1-benzylpyridinium bromide 
• 18010-46-3 4-benzothiazol-2-yl-1-benzyl-pyridinium; chloride 
• 51784-42-0 4-benzothiazol-2-yl-1-phenethyl-pyridinium; bromide 
• 51784-66-8 2-(1-benzyl-1,2,3,6-tetrahydro-pyridin-4-yl)-benzothiazole 
• 42158-45-2 2-(1,2,3,6-Tetrahydro-pyridin-4-yl)-benzothiazole 
• 51784-67-9 2-(1-phenethyl-1,2,3,6-tetrahydro-pyridin-4-yl)-benzothiazole 

Relevant articles and documents

Transition-Metal-Free Synthesis of 2-Substituted Benzothiazoles from Nitrobenzenes, Methylheteroaryl Compounds, and Elemental Sulfur, Based on Nitro-Methyl Redox-Neutral Cyclization

Greener and more sustainable chemical processes are required to address increasing environmental pollution and depletion of natural resources. This paper aims to develop greener and more sustainable modern synthetic chemical processes using redox-neutral cyclization. Redox-neutral cyclization has been shown to promote the efficient synthesis of 2-substituted benzothiazoles from easily available nitrobenzenes, methyl-heteroaryl compounds, and elemental sulfur in the absence of transition-metal catalysts. The 2-substituted benzothiazoles were obtained in reasonable yields through the sulfuration of electron-deficient C-H bonds with elemental sulfur. This synthetic methodology also affords a high atom economy without the use of any external oxidizing and/or reducing reagents.

Iron catalyzed efficient synthesis of 2-arylbenzothiazoles from benzothiazole and olefins using environmentally benign molecular oxygen as oxidant

A novel protocol for iron catalyzed arylation of benzothiazole with olefins has been developed using molecular oxygen as a greener oxidant. The reaction worked smoothly using inexpensive and easily available iron as a catalyst for the synthesis of 2-arylbenzothiazole derivatives in good to excellent yields.