68775-06-4

Basic information

• Product Name: 5-acetylamino-1-(benzothiazol-2-yl)-3-(p-chlorophenyl)-1H-pyrazole
• CAS NO: 68775-06-4
• Molecular Weight: 368.846
• Mol File: 68775-06-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 5-acetylamino-1-(benzothiazol-2-yl)-3-(p-chlorophenyl)-1H-pyrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 5-acetylamino-1-(benzothiazol-2-yl)-3-(p-chlorophenyl)-1H-pyrazole(68775-06-4)
• EPA Substance Registry System: 5-acetylamino-1-(benzothiazol-2-yl)-3-(p-chlorophenyl)-1H-pyrazole(68775-06-4)

Safety Data

• Hazardous Substances Data: 68775-06-4(Hazardous Substances Data)

Upstream product

• 4640-66-8 p-chlorobenzoylacetonitrile 
• 68775-20-2 5-amino-1-(benzothiazol-2-yl)-3-(p-chlorophenyl)-1-H-pyrazole 
• 367-57-7 1,1,1-Trifluoro-2,4-pentanedione 
• 64-19-7 acetic acid 
• 326-06-7 1-Phenyl-4,4,4-trifluorobutane-1,3-dione 
• 615-21-4 1,3-benzothiazol-2-ylhydrazine 
• 75-36-5 acetyl chloride 

Relevant articles and documents

Multi-component solvent-free versus stepwise solvent mediated reactions: Regiospecific formation of 6-trifluoromethyl and 4-trifluoromethyl-1H- pyrazolo[3,4-b]pyridines

A simple and efficient regiospecific synthesis of 6-trifluoromethyl-1H- pyrazolo[3,4-b]pyridines has been achieved in excellent yields via a three-component reaction between 2-hydrazinobenzothiazoles, α- cyanoacetophenones and trifluoromethyl-β-diketones under solvent-free conditions. This method was found to be more convenient than the classical stepwise solvent mediated process, which furnished not only the opposite regioisomer i.e. 4-trifluoromethyl-1H-pyrazolo[3,4-b]pyridines (50-60%) but also an undesired amide, 5-acetylamino-1-(benzothiazol-2′-yl)-3-phenyl-1H- pyrazole as a side product. The structure of the two regioisomers was established with certainty on the basis of rigorous analysis of 1H, 13C, 19F-NMR spectral data and (1H 13C) gs-HMQC, (1H13C) gs-HMBC experiments.