1012884-46-6

Basic information

• Product Name: 11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
• Synonyms: 11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one;Asenapine interMediate;11-Chloro-2,3-dihydro-2-Methyl-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one;11-chloro-2-Methyl-2,3-dihydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one;11-Chloro-2,3-dihydro-2-Methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c];11-chloro-2,3-dihydro-2-Methyl-1H-dibenz[2,3;6,7]oxepino[4,5-c]pyrrol-1-one;1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one,11-chloro-2,3-dihydro-2-methyl-
• CAS NO: 1012884-46-6
• Molecular Formula: C17H12ClNO2
• Molecular Weight: 297.73568
• EINECS: 1592732-453-0
• Mol File: 1012884-46-6.mol

Chemical Properties

• Boiling Point: 530.8±50.0 °C(Predicted)
• Appearance: /
• Density: 1.43
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• PKA: -1.29±0.20(Predicted)
• CAS DataBase Reference: 11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one(1012884-46-6)
• EPA Substance Registry System: 11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one(1012884-46-6)

Safety Data

• Hazardous Substances Data: 1012884-46-6(Hazardous Substances Data)

Usage

Uses

Used in Psychopharmacological Research:
11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one is used as a research compound for studying its psychoactive effects and potential applications in psychopharmacology. Its structural similarity to MDMA makes it a subject of interest for understanding the mechanisms of action and potential therapeutic uses in the treatment of various neurological and psychiatric disorders.
Used in Forensic Toxicology:
In forensic toxicology, 11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one is used as a reference substance for identifying and analyzing designer drugs in biological samples. Its presence in samples can provide insights into the prevalence of drug use and help in the development of detection methods and prevention strategies.
Used in Drug Regulation and Control:
11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one is used as a reference substance in the development of drug regulation and control policies. Understanding its properties, effects, and potential risks can contribute to the establishment of guidelines and restrictions on the production, distribution, and use of designer drugs to protect public health and safety.

Upstream product

• 1162120-35-5 3-(5-chloro-2-phenoxyphenyl)-1-methylpyrrolidine-2,4-dione 
• 70958-20-2 5-chloro-2-phenoxyphenylacetic acid 
• 1180843-76-8 C₁₈H₁₈ClNO₄ 

Downstream Products

• 1180843-77-9 trans 11-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3,6,7]oxepino[4,5-c]pyrrol-1-one 
• 1180843-77-9 trans-11-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one 
• 1180843-77-9 cis-11-chloro-2,3,3a,12btetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one 
• 912355-99-8 trans-8-chloro-10,11-dihydro-11-[(methylamino)methyl]-dibenz[b,f]oxepin-10-carboxylic acid 
• 165890-26-6 C₁₇H₁₄ClNO₂ 
• 129385-59-7 trans-(3a,12b)-11-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-C]pyrrol-1-one 
• 65576-45-6 asenapine 
• 1180843-77-9 cis-11-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one 
• 1180843-77-9 cis-11-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one 

Relevant articles and documents

PROCESS FOR THE PREPARATION OF ASENAPINE MALEATE

The present invention provides a process for the preparation of asenapine maleate of Formula (I), comprising: intra-molecular cyclization of the intermediate of Formula (II) to obtain the intermediate of Formula (III) using aluminium halide.

PROCESS FOR THE PREPARATION OF ASENAPINE MALEATE

The present invention provides a process for the preparation of asenapine maleate of Formula (I), comprising: intra-molecular cyclization of the intermediate of Formula (II) to obtain the intermediate of Formula (III) using aluminium halide.

Debottlenecking the Synthesis Route of Asenapine

The discovery synthesis of asenapine that was used for the manufacture of drug substance batches up to 10 kg contained two chemical steps that were major bottlenecks for scale-up. One of these steps involved a magnesium/methanol reduction of an enamide moiety that was severely hampered by safety and efficiency problems. The other step was a laborious chromatography and isomerization cycle that was marked by a poor yield and extremely low throughput The safety issues of the magnesium/methanol reduction could be solved by adding portions of magnesium to a solution of the enamide. In addition, an alternative process for the conversion of the mixture of cis- and trans-lactam into the desired trans-isomer was developed, circumventing the chromatographic separation.