22721-43-3

Basic information

• Product Name: 12H-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
• Synonyms: 12H-benzothiazolo[2,3-b]quinazolin-12-one
• CAS NO: 22721-43-3
• Molecular Formula: C₁₄H₈N₂OS
• Molecular Weight: 252.2911
• Mol File: 22721-43-3.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 469.1°C at 760 mmHg
• Flash Point: 237.5°C
• Density: 1.47g/cm³
• Vapor Pressure: 5.65E-09mmHg at 25°C
• Refractive Index: 1.79
• CAS DataBase Reference: 12H-[1,3]benzothiazolo[2,3-b]quinazolin-12-one(CAS DataBase Reference)
• NIST Chemistry Reference: 12H-[1,3]benzothiazolo[2,3-b]quinazolin-12-one(22721-43-3)
• EPA Substance Registry System: 12H-[1,3]benzothiazolo[2,3-b]quinazolin-12-one(22721-43-3)

Safety Data

• Hazardous Substances Data: 22721-43-3(Hazardous Substances Data)

Usage

Classification

Benzothiazole derivative

Applications

Pharmaceutical and agrochemical production

Structure

Heterocyclic, consisting of benzothiazole and quinazoline rings

Properties

Unique due to the combination of benzothiazole and quinazoline rings

Significance

Valuable building block for the synthesis of different organic compounds

Interest

Researchers and manufacturers in the chemical industry

Potential

Wide range of applications in various fields due to its unique structure and properties

Upstream product

• 374567-27-8 N-(2-cyanophenyl)-N'-[2-(methylsulfanyl)phenyl]thiourea 
• 374567-24-5 N-(2-chlorophenyl)-N'-(2-cyanophenyl)thiourea 

Downstream Products

• 32675-35-7 (2-benzothiazol-2-ylamino-phenyl)-methanol 
• 32675-37-9 N-(2-(benzo[d]thiazol-2-yl)phenyl)acetamide 
• 58483-69-5 2-benzothiazol-2-ylamino-benzoic acid 

Relevant articles and documents

Synthesis and X-ray characterisation of a new polycondensed heterocycle obtained by a novel Mn(III)-mediated cascade reaction of 2-cyanophenyl isothiocyanate

2-Cyanophenyl isothiocyanate reacted with Mn(III) acetate in acetic acid or acetonitrile to give fair yields of a new polycondensed heterocycle arising from the joining together of two molecules of the starting isothiocyanate with loss of a CS moiety. The yields were close to 90% when the reaction was carried out in the presence of diethyl malonate. This compound was unambiguously identified by X-ray crystallography. Under the same conditions, 2-(methoxycarbonyl)phenyl isothiocyanate gave a quinazolinimine derivative instead which is likely to arise from cyclisation of an intermediate N,N′-diarylthiourea. The mechanism of formation of the former compound probably involves formation of a N,N′-bis(2-cyanophenyl)thiourea, followed by rearrangement and radical tandem ring closure of the corresponding cyclic imine derivative. This hypothesis is also supported by semiempirical calculations.