91003-15-5

Basic information

• Product Name: 3-(2-chlorophenyl)-2-hydroxycyclohex-2-en-1-one
• CAS NO: 91003-15-5
• Molecular Formula: C₁₂H₁₁ClO₂
• Molecular Weight: 222.6675
• Mol File: 91003-15-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 374°C at 760 mmHg
• Flash Point: 180°C
• Density: 1.346g/cm³
• Vapor Pressure: 2.94E-06mmHg at 25°C
• Refractive Index: 1.623
• CAS DataBase Reference: 3-(2-chlorophenyl)-2-hydroxycyclohex-2-en-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2-chlorophenyl)-2-hydroxycyclohex-2-en-1-one(91003-15-5)
• EPA Substance Registry System: 3-(2-chlorophenyl)-2-hydroxycyclohex-2-en-1-one(91003-15-5)

Safety Data

• Hazardous Substances Data: 91003-15-5(Hazardous Substances Data)

Upstream product

• 6740-88-1 ketamine 
• 91003-18-8 3-(o-Chlorophenyl)-2-(methylamino)cyclohex-2-enone 
• 91003-14-4 5-(o-Chlorophenyl)-4-methyl-2-oxa-4-azabicyclo<3.3.1>nonane-3,9-dione 
• 91003-21-3 [1-(2-Chloro-phenyl)-2-trimethylsilanyloxy-cyclohex-2-enyl]-methyl-carbamic acid methyl ester 
• 35211-10-0 norketamine 
• 91003-20-2 (E)-2-(o-Chlorophenyl)-6-hydroxy-2-<(methoxycarbonyl)methylamino>cyclohexanone 
• 91003-19-9 2-(o-Chlorophenyl)-2-<(methoxycarbonyl)methylamino>cyclohexanone 
• 91003-12-2 2-(o-Chlorophenyl)-2-<(benzyloxycarbonyl)methylamino>cyclohexanone 
• 91003-13-3 (E)-6-Bromo-2-(o-chlorophenyl)-2-<(benzyloxycarbonyl)methylamino>cyclohexanone 
• 91003-23-5 Toluene-4-sulfonic acid (1R,3S)-3-(2-chloro-phenyl)-3-(methoxycarbonyl-methyl-amino)-2-oxo-cyclohexyl ester 

Downstream Products

• 91003-17-7 1-(o-Chlorophenyl)-1,2,3,4-tetrahydrophenazine 

Relevant articles and documents

Ketamine metabolism: Identification and synthesis of a deaminated product

During attempts to synthesize 2-amino-2-(2-chlorophenyl)-6-hydroxycyclohexanone (6), a ketamine metabolite, an unexpected product, 3-(2-chlorophenyl)-2-hydroxy-2-cyclohexenone (4) was obtained as the major product. This compound apparently was formed by rearrangement and deamination of 6 during the isolation and purification procedures. This same compound was found in plasma and urine extracts obtained from mice and rats that had been treated with either ketamine or norketamine. It is suggested that 3-(2-chlorophenyl)-2-hydroxy-2-cyclohexenone (4), isolated from these biological samples, probably arose from decomposition of the 6-hydroxylated metabolite of ketamine or norketamine and is itself not a true metabolite.