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

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

Uses

Given the provided materials, there are no explicit uses listed for 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-. However, based on its complex structure and the presence of a chloro and methyl group, it can be hypothesized that this compound may have applications in various fields such as pharmaceuticals, agrochemicals, or materials science. The potential uses would be contingent upon further research and development to explore its biological activities and properties.
If future research were to identify specific applications, the uses could be listed as follows:
Used in Pharmaceutical Industry:
1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 11-chloro-2,3,3a,12b-tetrahydro-2-Methyl-, (3aR,12bS)-relcould be used as a pharmaceutical agent for [specific therapeutic purpose] due to its [particular biological activity or mechanism of action].
Used in Agrochemical Industry:
In the agrochemical sector, 1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 11-chloro-2,3,3a,12b-tetrahydro-2-Methyl-, (3aR,12bS)-relmight be employed as a pesticide or herbicide for [specific agricultural application] because of its [relevant biological properties].
Used in Materials Science:
For materials science applications, 1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 11-chloro-2,3,3a,12b-tetrahydro-2-Methyl-, (3aR,12bS)-relcould be utilized as a component in the development of [specific type of material], leveraging its [unique structural or chemical properties].

Upstream product

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

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 
• 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 
• 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 

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.

the maleic acid Arab League fills evenly that a kind of preparation method (by machine translation)

The invention refers to antipsychotics asenapine( Asenapine ) A suitable industrial synthesis process. It comprises the following steps: in the organic solvent, compound I in an acidic condition to obtain intermediate ShiShimonoseki ring II; intermediate II under the action of the strong reducing agent is subjected to a reducing reaction, and then with the maleic acid salt, to obtain a target compound the maleic acid Arab League fills evenly that. (by machine translation)

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.

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.

PROCESS FOR THE PREPARATION OF (3ARS,12BRS)-5-CHLORO-2-METHYL-2,3,3A12B-TETRAHYDRO-1HDIBENZO[2,3:6,7] OXEPINO [4,5-C]PYRROLE MALEATE AND IT'S PHARMACEUTICAL COMPOSITION THEREOF

The present invention relates to an improved process for the preparation (3aRS,12bRS)-5-Chloro-2-menthyl-2,3,3a,12b-tetrahydro-1Hdibenzo[2,3:6,7]oxepino [4,5-c]pyrrole maleate represented by the compound of formula-1a and its pharmaceutical composition.(F)

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.

Intermediate compounds for the preparation of trans-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole

Disclosed are novel amino acid derivatives of formula (I) and (II) processes for the preparation thereof, and their use in the preparation of trans-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenz[2,3:6,7]oxepino-[4,5-c]pyrrole.

Intermediate compounds for the prepation of trans-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1h-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole

Disclosed are novel amino acid derivatives of formula (I) and (II) processes for the preparation thereof, and their use in the preparation of trans-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenz[2,3:6,7]oxepino-[4,5-c]pyrrole.

Physico-chemical properties and stability of trans-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H- dibenz[2,3:6,7]oxepino[4,5-c]pyrrolidine maleate

The physico-chemical properties of trans-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H- dibenz[2,3:6,7]oxepino[4,5-c]pyrrolidine maleate (Org 5222), a new potential antipsychotic compound, were studied by interpretation of its spectra (UV, IR, NMR, mass), X-ray analysis, thermal properties, solubilities and partition coefficient. Analytical methods such as GLC and TLC were developed for use in stability tests. Crystalline Org 5222 was shown to be stable with respect to heat. Only excessive exposure to light was shown to induce degradation of crystalline Org 5222. In solutions of pH 1, 4 and 7 only slight degradation was observed at high temperature or after exposure to light.