1401340-75-7

Basic information

• Product Name: 2-(cyanomethyl)-3-methyl-5-oxo-1-phenyl-3-pyrazoline-4-acetic acid methyl ester
• Synonyms: 2-(cyanomethyl)-3-methyl-5-oxo-1-phenyl-3-pyrazoline-4-acetic acid methyl ester
• CAS NO: 1401340-75-7
• Molecular Weight: 285.302
• Mol File: 1401340-75-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2-(cyanomethyl)-3-methyl-5-oxo-1-phenyl-3-pyrazoline-4-acetic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(cyanomethyl)-3-methyl-5-oxo-1-phenyl-3-pyrazoline-4-acetic acid methyl ester(1401340-75-7)
• EPA Substance Registry System: 2-(cyanomethyl)-3-methyl-5-oxo-1-phenyl-3-pyrazoline-4-acetic acid methyl ester(1401340-75-7)

Safety Data

• Hazardous Substances Data: 1401340-75-7(Hazardous Substances Data)

Upstream product

• 100-63-0 phenylhydrazine 
• 10420-33-4 dimethyl 2-acetylsuccinate 
• 1011416-46-8 (3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-acetic acid methyl ester 
• 107-14-2 chloroacetonitrile 
• 624-75-9 iodoacetonitrile 

Downstream Products

• 1005750-46-8 2,3-dihydro-5-methyl-3-oxo-2-phenyl-4-pyridazineacetic acid methyl ester 

Relevant articles and documents

A novel synthesis of 4-pyridazineacetic acids via ring expansion of N-cyanomethylated 3-pyrazoline-4-acetic acids

A novel synthetic route to 4-pyridazineacetic acids 10-12 has been achieved by the ring-expansion reaction of N-cyanomethylated 3-pyrazoline-4-acetic acids 7-9. 1H-Pyrazole-4-acetic acids 1-3 were reacted with iodoacetonitrile in the presence of triethylamine in refluxing acetonitrile to give the corresponding C-cyanomethylated 1H-pyrazole-4-acetic acids 4-6 as major products together with N-cyanomethylated 3-pyrazoline-4-acetic acids 7 and 8 as minor products. On the other hand, reactions of 1 and 3 with chloroacetonitrile in the presence of triethylamine in refluxing chloroform afforded the corresponding N-cyanomethylated 3-pyrazoline-4-acetic acids 7 and 9 as major products. Thermal treatment of 7-9 with sodium hydride in N,N-dimethylformamide caused ring expansion to yield the corresponding 4-pyridazineacetic acids 10-12.