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

• 137-07-5 2-amino-benzenethiol 
• 103-80-0 phenylacetyl chloride 
• 66155-42-8 (2-benzyl-2,3-dihydro-benzothiazol-2-yl)-acetic acid methyl ester 
• 109532-93-6 2,3-Dihydro-2-phenyl-5-phenacetyl-1,5-benzothiazepin-4(5H)-on 
• 38879-46-8 (Z)-4-benzylidene-2-methyl-5(4H)-oxazolone 
• 615-22-5 2-methylmercaptobenzothiazole 
• 62673-31-8 benzyl(bromo)zinc 
• 1155-00-6 bis(2-nitrophenyl)disulfide 
• 140-29-4 phenylacetonitrile 
• 103-82-2 phenylacetic acid 
• 95-16-9 1,3-Benzothiazole 
• 13326-10-8 benzyl methyl carbonate 
• 1224508-04-6 C₁₄H₁₂INS 
• 108-86-1 bromobenzene 

Downstream Products

• 74655-81-5 4-Benzothiazol-2-yl-3,4-diphenyl-butyronitrile 
• 343820-54-2 3-(Benzothiazol-2-yl-phenyl-methyl)-cyclohexanone 
• 32137-74-9 2-benzothiazol 
• 22841-77-6 2-(α-hydroxybenzyl)-1,3-benzothiazole 
• 111259-61-1 1-methyl-2-(1-phenylethyl)benzothiazole 
• 101345-81-7 2-Benzyl-2-(2-methyl-allyl)-2,3-dihydro-benzothiazole 
• 91258-41-2 C₄₄H₅₂N₂S₂ 
• 132607-23-9 syn-2-(2-benzothiazolyl)phenylmethyl cyclohexanol 
• 132607-23-9 anti-2-(2-benzothiazolyl)phenylmethyl cyclohexanol 
• 101345-77-1 2-Benzyl-2-(1-methyl-allyl)-2,3-dihydro-benzothiazole 
• 77036-87-4 (E)-2-(1,2-diphenylvinyl)benzo[d]thiazole 
• 330211-88-6 (1,2-Diphenyl-2-hydroxy)-2-ethylbenzothiazole 
• 79034-13-2 (RS),(SR)-α,β-Diphenyl-2-benzothiazolethanol 
• 79034-13-2 1,2-diphenyl-2-(2-benzothiazolyl)ethanol 

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

KOtBu-Promoted Halogen-Bond-Assisted Intramolecular C-S Cross-Coupling of o-Iodothioanilides for the Synthesis of 2-Substituted Benzothiazoles

An efficacious and mild KOtBu-promoted intramolecular C-S cross-coupling of ortho-iodothioanilides in conjunction with a catalytic quantity of phenanthroline as an additive has been described for the convenient synthesis of 2-substituted benzothiazoles. The methodology is suitable for attaining a wide variety of 2-alkyl- and 2-aryl-substituted benzothiazoles. Single-crystal XRD, DFT calculations, NMR, and UV studies suggest that halogen bonds between the units of ortho-iodothioanilides may assist in the electron transfer process.

Ultrasound-assisted efficient and green synthesis of 2-substituted benzothiazoles under solvent-free condition using recyclable sulfated tungstate

Sulfated tungstate catalyzed an efficient and ecofriendly protocol has been described for the synthesis of 2-substituted benzothiazoles. The corresponding benzothiazoles were obtained using a condensation reaction of 2-aminothiophenol with various aldehydes under ultrasound irradiation at room temperature. Various functional groups on the 2-aminothiophenol as well as on the aldehydes were tolerated to provide 2-substituted benzothiazoles derivatives in excellent yields. The faster reaction rate, solvent-free or mild reaction conditions, wide functional group compatibility, excellent yields, easy work-up procedure, and excellent catalyst recyclability are the advantages of this protocol. These advantages make this process more practicable, cost-effective, and environmentally benign.