6265-94-7

Basic information

• Product Name: Benzothiazole, 2-(phenylmethyl)- (9CI)
• Synonyms: Benzothiazole, 2-(phenylmethyl)- (9CI);2-Benzyl-1,3-benzothiazole;Benzothiazole, 2-(phenylmethyl)-;Inchi=1/C14H11ns/C1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/H1-9H,10h
• CAS NO: 6265-94-7
• Molecular Formula: C₁₄H₁₁NS
• Molecular Weight: 225.30884
• Product Categories: BENZOTHIAZOLE
• Mol File: 6265-94-7.mol
• Article Data: 73

Chemical Properties

• Melting Point: 158 °C(Solv: ethanol (64-17-5); acetonitrile (75-05-8))
• Boiling Point: 374.6°C at 760 mmHg
• Flash Point: 183.6°C
• Appearance: /
• Density: 1.213g/cm³
• Vapor Pressure: 1.78E-05mmHg at 25°C
• Refractive Index: 1.676
• PKA: 1.32±0.10(Predicted)
• CAS DataBase Reference: Benzothiazole, 2-(phenylmethyl)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzothiazole, 2-(phenylmethyl)- (9CI)(6265-94-7)
• EPA Substance Registry System: Benzothiazole, 2-(phenylmethyl)- (9CI)(6265-94-7)

Safety Data

• Hazardous Substances Data: 6265-94-7(Hazardous Substances Data)

Usage

General Description

Benzothiazole, 2-(phenylmethyl)- (9CI) is a chemical compound with the molecular formula C15H11NS. It is a benzothiazole derivative that is commonly used in the production of various organic compounds and materials. This chemical is known for its wide range of applications, including as a building block for pharmaceuticals, agricultural chemicals, and rubber industries. It is also used in research and development, as well as in the manufacturing of dyes and as an intermediate in organic synthesis. Benzothiazole, 2-(phenylmethyl)- (9CI) is considered to be a versatile and valuable compound in the chemical industry due to its unique properties and potential applications.

InChI:InChI=1/C14H11NS/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2

Upstream product

• 164408-46-2 2-methylthio-N-triphenylphosphoranylideneaniline 
• 103-80-0 phenylacetyl chloride 
• 15520-32-8 isopropoxide 
• 190384-94-2 2-(α-chlorobenzyl)-1,3-benzothiazole 
• 95-16-9 1,3-Benzothiazole 
• 122-78-1 phenylacetaldehyde 
• 137-07-5 2-amino-benzenethiol 
• 38879-46-8 (Z)-4-benzylidene-2-methyl-5(4H)-oxazolone 
• 109532-93-6 2,3-Dihydro-2-phenyl-5-phenacetyl-1,5-benzothiazepin-4(5H)-on 
• 66155-42-8 (2-benzyl-2,3-dihydro-benzothiazol-2-yl)-acetic acid methyl ester 
• 588-72-7 [(E)-2-bromoethenyl]benzene 
• 1141-88-4 2-Aminophenyl disulfide 
• 27484-75-9 2,2'-trisulfanediyldianiline 
• 536-74-3 phenylacetylene 

Downstream Products

• 132607-27-3 3-(2-benzothiazolyl)-1,3-diphenyl-2-(4-chlorophenyl)-1-propanol 
• 79246-64-3 2-(1,2-diphenylethyl)benzothiazole 
• 1293918-79-2 C₂₁H₁₆N₂O₃S₂ 
• 16622-21-2 2-benzyl-3-methyl-benzothiazolium; iodide 
• 16622-37-0 2-benzyl-3-methyl-benzothiazolium; toluene-4-sulfonate 
• 38285-66-4 3-hydroxy-2,4-diphenyl-benzo[4,5]thiazolo[3,2-a]pyridin-1-one 
• 17142-96-0 3-ethyl-2-benzyl-benzothiazolium; iodide 
• 1403588-50-0 2-(methoxy(phenyl)methyl)-3-methylbenzo[d]thiazol-3-ium triflate 

Relevant articles and documents

Piezochromic luminescence behaviors of two new benzothiazole-enamido boron difluoride complexes: Intra- and inter-molecular effects induced by hydrostatic compression

Two new propeller-shaped benzothiazole-enamide boron difluoride complexes exhibiting piezochromic luminescence upon mechanical grinding or hydrostatic compression were prepared. The two analogues displayed the red shift in luminescence under high pressure, while compound 2 with ICT effects showed a more sensitive piezochromic response at low pressure (1.5 GPa). The different piezochromic luminescence behaviors of these compounds were investigated. This journal is

Iodine-promoted ring-opening methylation of benzothiazoles with dimethyl sulfite

A halogen-bond promoted ring-opening methylation of benzothiazoles has been developed using dimethyl sulphite as a methylating reagent in the presence of a base. This approach represents a simple and efficient synthesis ofN-methyl-N-(o-methylthio)phenyl amides, and features direct construction of both N-Me and S-Me bonds in a one-pot reaction through the decomposition of easily prepared benzothiazoles.

One-pot synthesis of 2-acylbenzothiazoles from 2-aminobenzenethiols and arylacetonitriles via cyclization and sequential oxidation

An efficient one-pot method to access 2-acylbenzothiazoles via AlCl3-mediated cyclization reaction and I2-promoted sequential oxidation reaction of 2-aminobenzenethiols with arylacetonitriles was developed. This reaction proceeds smoothly with a wide range of arylacetonitriles containing different functional groups to give the corresponding products in moderate to good yields under mild conditions. Moreover, this reaction was conveniently conducted on a gram scale, and the yield is still up to 68%.