165890-26-6

Basic information

• Product Name: 1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 11-chloro-2,3,3a,12b-tetrahydro-2-Methyl-, (3aR,12bS)-rel-
• Synonyms: 1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 11-chloro-2,3,3a,12b-tetrahydro-2-Methyl-, (3aR,12bS)-rel-;(3aR,12bS)-11-chloro-2-Methyl-2,3,3a,12b-tetrahydro- 1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one;rel-(3aR,12bS)-11-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
• CAS NO: 165890-26-6
• Molecular Formula: C17H14ClNO2
• Molecular Weight: 299.75156
• Mol File: 165890-26-6.mol
• Article Data: 10

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 11-chloro-2,3,3a,12b-tetrahydro-2-Methyl-, (3aR,12bS)-rel-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 11-chloro-2,3,3a,12b-tetrahydro-2-Methyl-, (3aR,12bS)-rel-(165890-26-6)
• EPA Substance Registry System: 1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 11-chloro-2,3,3a,12b-tetrahydro-2-Methyl-, (3aR,12bS)-rel-(165890-26-6)

Safety Data

• Hazardous Substances Data: 165890-26-6(Hazardous Substances Data)

Usage

General Description

1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 11-chloro-2,3,3a,12b-tetrahydro-2-Methyl-, (3aR,12bS)-rel- is a chemical compound with a complex and specific molecular structure. It contains a dibenzoxepin ring fused to a pyrrolone moiety, with a chloro substitution at the 11th position and a methyl group at the 2nd position of the tetrahydrofuran ring. The stereochemistry of the compound is described by the (3aR,12bS)-rel- configuration, indicating the arrangement of the functional groups around the chiral centers. This chemical compound may have various biological activities and potential therapeutic uses due to its unique structure and properties.

Upstream product

• 1012884-46-6 11-chloro-2-methyl-2,3-dihydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one 
• 1162120-35-5 3-(5-chloro-2-phenoxyphenyl)-1-methylpyrrolidine-2,4-dione 
• 1180843-76-8 C₁₈H₁₈ClNO₄ 
• 70958-20-2 5-chloro-2-phenoxyphenylacetic acid 
• 77-78-1 dimethyl sulfate 
• 912355-99-8 C₁₇H₁₆ClNO₃ 
• 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 
• 912356-05-9 11-chloro-2,3,3a,12b-tetrahydro-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 
• 85650-56-2 trans-5-Chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenz<2,3:6,7>oxepino<4,5-c>pyrrolidine maleate 

Downstream Products

• 65621-78-5 asenapine 
• 912355-99-8 trans-8-chloro-10,11-dihydro-11-[(methylamino)methyl]-dibenz[b,f]oxepin-10-carboxylic acid 
• 912355-99-8 trans-8-chloro-10,11-dihydro-11-[(methylamino)-methyl]-dibenz[b,f]oxepin-10-carboxylic acid 
• 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 
• 85650-55-1 asenapine maleate 
• 135883-16-8 (3aR,12bR)-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepin[4,5-c]pyrrole maleate 
• 85650-56-2 trans-5-Chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenz<2,3:6,7>oxepino<4,5-c>pyrrolidine maleate 

Relevant articles and documents

Preparation method of asenapine intermediate

The invention discloses a preparation method of an asenapine intermediate and belongs to the technical field of synthesis of asenapine intermediates. In the ASP07 preparation process, iodine is added for an initiation reaction, the reaction temperature is controlled to be 40 DEG C or below, inorganic acid is used for neutralization after the reaction is finished, hydrochloric acid and sulfuric acid are preferentially selected, inorganic base is used for a ring-opening reaction in the ASP08 preparation process, potassium hydroxide and sodium hydroxide are preferentially selected, the reaction temperature is 80-90 DEG C, and in the process of preparing the asenapine intermediate, ethanol and methanol are used as refining solvents, so that a high-purity product can be obtained. The asenapine intermediate is mainly applied to atypical antipsychotic drugs.

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 INTERMEDIATE

The present invention provides a process for the preparation of the asenapine intermediate of Formula (III) using a magnesium-methanol-acetic acid mixture.