58286-26-3

Basic information

• Product Name: ethyl (Z)-3-[(4-bromophenyl)amino]-2-cyanoprop-2-enoate
• CAS NO: 58286-26-3
• Molecular Weight: 295.136
• Mol File: 58286-26-3.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: ethyl (Z)-3-[(4-bromophenyl)amino]-2-cyanoprop-2-enoate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl (Z)-3-[(4-bromophenyl)amino]-2-cyanoprop-2-enoate(58286-26-3)
• EPA Substance Registry System: ethyl (Z)-3-[(4-bromophenyl)amino]-2-cyanoprop-2-enoate(58286-26-3)

Safety Data

• Hazardous Substances Data: 58286-26-3(Hazardous Substances Data)

Upstream product

• 94-05-3 2-cyano-3-ethoxyacrylic acid ethyl ester 
• 106-40-1 4-bromo-aniline 
• 868-01-9 ethyl-2-cyano-3-ethoxyacrylate 

Downstream Products

• 364793-54-4 6-bromo-4-chloro-3-quinolinecarbonitrile 
• 928779-61-7 4-(3-Chloro-4-fluoro-phenylamino)-6-((E)-styryl)-quinoline-3-carbonitrile 
• 915369-04-9 6-bromo-N-(3-chloro-4-fluoro-phenyl)-quinoline-3-carbnitrile-4-amine 
• 364793-52-2 6-bromo-4-hydroxyquinoline-3-carbonitrile 

Relevant articles and documents

An unusual C=C?C=O interaction in (Z)-3-[(4-halogenphenyl)amino]-2-cyanoprop-2-enoates

An unusual C=C?C=O interaction has been discovered in (Z)-3-[(4-halogenphenyl)amino]-2-cyanoprop-2-enoates and rationalized by the density functional theory calculations. Second order perturbation theory analysis based on the NBO method and LMOEDA energy decomposition further reveals that the C=C?C=O interaction is mainly dominated by dispersion and electrostatic energies, and two orbital interactions.