36646-75-0

Basic information

• Product Name: 3-((4-CHLOROPHENYL)AMINO)CYCLOHEX-2-EN-1-ONE
• Synonyms: 3-((4-CHLOROPHENYL)AMINO)CYCLOHEX-2-EN-1-ONE;2-cyclohexen-1-one, 3-[(4-chlorophenyl)amino]-;3-[(4-chlorophenyl)amino]-1-cyclohex-2-enone;ZINC04265246;3-(4-chloroanilino)cyclohex-2-en-1-one
• CAS NO: 36646-75-0
• Molecular Formula: C₁₂H₁₂ClNO
• Molecular Weight: 221.68
• Mol File: 36646-75-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 353.5°C at 760 mmHg
• Flash Point: 167.6°C
• Appearance: /
• Density: 1.295g/cm³
• Vapor Pressure: 3.58E-05mmHg at 25°C
• Refractive Index: 1.638
• CAS DataBase Reference: 3-((4-CHLOROPHENYL)AMINO)CYCLOHEX-2-EN-1-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-((4-CHLOROPHENYL)AMINO)CYCLOHEX-2-EN-1-ONE(36646-75-0)
• EPA Substance Registry System: 3-((4-CHLOROPHENYL)AMINO)CYCLOHEX-2-EN-1-ONE(36646-75-0)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 36646-75-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H12ClNO/c13-9-4-6-10(7-5-9)14-11-2-1-3-12(15)8-11/h4-8,14H,1-3H2

Upstream product

• 106-47-8 4-chloro-aniline 
• 765-87-7 cyclohexane-1,2-dione 

Downstream Products

• 51924-67-5 2-bromo-3-(4-chlorophenylamino)cyclohex-2-enone 
• 725201-89-8 2-Bromo-3-[(Z)-4-chloro-phenylimino]-cyclohex-1-enol 
• 51924-74-4 2-(4-Chloro-phenylamino)-6-oxo-cyclohex-1-enecarboxylic acid phenylamide 
• 1206477-71-5 2-amino-4-(5-chloro-3-methyl-1-p-tolyl-1H-pyrazol-4-yl)-1-(4-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 
• 1206477-77-1 C₂₆H₂₀Cl₃N₅O 
• 1206477-63-5 C₂₆H₂₁Cl₂N₅O 
• 1396649-95-8 3-(bis(4-chlorophenyl)amino)-2-iodocyclohex-2-enone 
• 1393726-17-4 7-(3-chlorophenylamino)-2-(4-bromophenyl)-1-(4-chlorophenyl)-6,7-dihydro-1H-indol-4(5H)-one 
• 1393726-20-9 7-(4-nitrophenylamino)-1-(4-chlorophenyl)-6,7-dihydro-2-phenyl-1H-indol-4(5H)-one 
• 1393726-19-6 7-(p-tolylamino)-1-(4-chlorophenyl)-6,7-dihydro-2-phenyl-1H-indol-4(5H)-one 
• 939302-09-7 1-(4-chlorophenyl)-4-phenyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione 
• 138452-44-5 10-(4-chlorophenyl)phenazin-2(10H)-one 

Relevant articles and documents

NMR of enaminones part 3 ? - 1H, 13C and 17O NMR spectroscopic studies of acyclic and cyclic N-aryl enaminones: Substituent effects and intramolecular hydrogen bonding

17O, 13C and 1H NMR spectra for para-and meta-substituted 4-arylaminopent-3-en-2-ones (acyclic enaminones, 1 and 2) and 3-arylaminocyclohex-2-en-1-ones (cyclic enaminones, 3 and 4) are reported. The 17O, 13C and 1H shift values of these enaminones correlate well with σm0 and σp- constants in the correlations for meta and para derivatives, and with pKa values of the corresponding anilines. Dual substituent parameters analyses were also performed. Correlations of 17O and 13C chemical shifts of the carbonyl groups with those of the corresponding N-acylanilines indicate that the enaminone moiety as a whole has electronic properties similar to those of the RCONH group. The 17O shift values of the carbonyl O atoms of enaminones correlate well with their 1H and 13C data. Shieldings of 33-45 ppm for O atoms are observed for 1 and 2 compared with 3 and 4, respectively. This is attributed to intramolecular hydrogen bonding.