1233389-00-8

Basic information

• Product Name: (Z)-ethyl 5-oxo-2-phenyl-4-(2-phenylhydrazono)-4,5-dihydro-1H-pyrrole-3-carboxylate;
• CAS NO: 1233389-00-8
• Molecular Weight: 336.356
• Mol File: 1233389-00-8.mol

Chemical Properties

• CAS DataBase Reference: (Z)-ethyl 5-oxo-2-phenyl-4-(2-phenylhydrazono)-4,5-dihydro-1H-pyrrole-3-carboxylate;(CAS DataBase Reference)
• NIST Chemistry Reference: (Z)-ethyl 5-oxo-2-phenyl-4-(2-phenylhydrazono)-4,5-dihydro-1H-pyrrole-3-carboxylate;(1233389-00-8)
• EPA Substance Registry System: (Z)-ethyl 5-oxo-2-phenyl-4-(2-phenylhydrazono)-4,5-dihydro-1H-pyrrole-3-carboxylate;(1233389-00-8)

Safety Data

• Hazardous Substances Data: 1233389-00-8(Hazardous Substances Data)

Upstream product

• 105194-22-7 2,3-dihydro-2-oxo 5-phenyl-1H-pyrrole-4-carboxylic acid ethyl ester 

Relevant articles and documents

A 1H, 13C and 15N NMR spectroscopic and GIAO DFT study of ethyl 5-oxo-2-phenyl-4-(2-phenylhydrazono)-4,5-dihydro-1H-pyrrole-3-carboxylate

15N-Labelled ethyl 5-oxo-2-phenyl-4-(2-phenylhydrazono)-4,5-dihydro-1H-pyrrole-3-carboxylate was synthesized by azo-coupling of diazotized aniline (using Na15NO2, 99% 15N) with ethyl 4,5-dihydro-5-oxo-2-phenyl-(1H)-pyrrole-3-carboxylate. The product was formed as a tautomeric hydrazone mixture as confirmed by 13C and 15N chemical shifts, and was obtained as a mixture of E and Z isomers according to nJ(15N, 13C). A comparison of the 1H NMR data with GIAO DFT calculations enabled determination of the configuration of the carboxy ester group in both isomers.