1287746-12-6

Basic information

• Product Name: (E)-N₂-{4-[(E)-2-(4-chlorobenzoyl)-ethenyl]-3-methyl-1-phenyl-1H-pyrazol-5-yl}-N₁,N₁-dimethylformamidine
• CAS NO: 1287746-12-6
• Molecular Weight: 392.888
• Mol File: 1287746-12-6.mol

Chemical Properties

• CAS DataBase Reference: (E)-N₂-{4-[(E)-2-(4-chlorobenzoyl)-ethenyl]-3-methyl-1-phenyl-1H-pyrazol-5-yl}-N₁,N₁-dimethylformamidine(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-N₂-{4-[(E)-2-(4-chlorobenzoyl)-ethenyl]-3-methyl-1-phenyl-1H-pyrazol-5-yl}-N₁,N₁-dimethylformamidine(1287746-12-6)
• EPA Substance Registry System: (E)-N₂-{4-[(E)-2-(4-chlorobenzoyl)-ethenyl]-3-methyl-1-phenyl-1H-pyrazol-5-yl}-N₁,N₁-dimethylformamidine(1287746-12-6)

Safety Data

• Hazardous Substances Data: 1287746-12-6(Hazardous Substances Data)

Upstream product

• 99-91-2 para-chloroacetophenone 

Relevant articles and documents

(E)-N 2-{4-[(E)-2-(4-chlorobenzoyl)-ethenyl]-3-methyl-1-phenyl- 1H-pyrazol-5-yl}-N1,N1-dimethyl-formamidine: Polarized molecules within sheets of π-stacked hydrogen-bonded chains

The molecules of the title compound, C22H21ClN 4O, are conformationally chiral, and in the space group P2 12121 each crystal contains only one conformational enantiomer. The intramolecular dimensions provide evidence for polarization of the electronic structure. Mol-ecules are linked by a single C - H...π(arene) hydrogen bond into chains, which are themselves weakly linked into sheets by an aromatic π-π stacking interaction.