97684-87-2

Basic information

• Product Name: 2-Benzyl-3-diethylamino-4-methyl-1H-pyrido<2,1-b>benzothiazol-1-on
• CAS NO: 97684-87-2
• Molecular Weight: 376.522
• Mol File: 97684-87-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2-Benzyl-3-diethylamino-4-methyl-1H-pyrido<2,1-b>benzothiazol-1-on(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Benzyl-3-diethylamino-4-methyl-1H-pyrido<2,1-b>benzothiazol-1-on(97684-87-2)
• EPA Substance Registry System: 2-Benzyl-3-diethylamino-4-methyl-1H-pyrido<2,1-b>benzothiazol-1-on(97684-87-2)

Safety Data

• Hazardous Substances Data: 97684-87-2(Hazardous Substances Data)

Upstream product

• 97684-89-4 3-(5,6,7,8-Tetrachlor-3-hydroxy-1,4-benzodioxin-2-ylcarbonyl)benzothiazolin-2-methylimin 
• 97684-71-4 1-Methyl-4-oxo-4H-benzothiazolo<3,2-a>pyrimidin-1-ium-2-olat 
• 16954-69-1 2-methylaminobenzthiazole 

Relevant articles and documents

Synthesis of 4-Oxo-4H-benzothiazolopyrimidin-1-ium-2-olates and their Cycloaddition Reactions to Electron-poor and Electron-rich Alkynes as well as to o-Chloranil

The synthesis and physical properties of the title compounds 3a-d, prepared from 1 and bis(2,4,6-trichlorophenyl) malonates 2a-d, are described.As cyclic 1,4-dipoles, the betaines 3 combine with dimethyl acetylenedicarboxylate, dibenzoylethylene or bis(diethylamino)ethyne with formation of primary adducts of type 4, which release methyl isocyanate to give pyridobenzothiazole derivatives 5a-g, whereas the reaction of 3a with bis(dimethylamino)ethyne yields the betaine 7.With unsymmetrically substituted alkynes like methyl propiolate or 1-(diethylamino)propyne, 3 reacts with regiospecific formation of 8a-f.On the other hand, the reaction of 3a with o-chloranil proceeds with regiospecific formation of the 1,4-benzodioxin derivative 11.In case of 8, the observed regiospecificities are in agreement with the results of MNDO calculations and MO-perturbation theory.