912355-99-8

Basic information

• Product Name: (10S,11S)-8-chloro-11-((MethylaMino)Methyl)-10,11-dihydrodibenzo[b,f]oxepine-10-carboxylic acid
• Synonyms: (10S,11S)-8-chloro-11-((MethylaMino)Methyl)-10,11-dihydrodibenzo[b,f]oxepine-10-carboxylic acid;Dibenz[b,f]oxepin-10-carboxylic acid, 8-chloro-10,11-dihydro-11-[(methylamino)methyl]-, (10R,11R)-rel-
• CAS NO: 912355-99-8
• Molecular Formula: C17H16ClNO3
• Molecular Weight: 317.76684
• Mol File: 912355-99-8.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: (10S,11S)-8-chloro-11-((MethylaMino)Methyl)-10,11-dihydrodibenzo[b,f]oxepine-10-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (10S,11S)-8-chloro-11-((MethylaMino)Methyl)-10,11-dihydrodibenzo[b,f]oxepine-10-carboxylic acid(912355-99-8)
• EPA Substance Registry System: (10S,11S)-8-chloro-11-((MethylaMino)Methyl)-10,11-dihydrodibenzo[b,f]oxepine-10-carboxylic acid(912355-99-8)

Safety Data

• Hazardous Substances Data: 912355-99-8(Hazardous Substances Data)

Usage

General Description

The chemical "(10S,11S)-8-chloro-11-((MethylaMino)Methyl)-10,11-dihydrodibenzo[b,f]oxepine-10-carboxylic acid" is a compound with a complex carbon backbone and a chlorine atom at the 8th position. It also contains a carboxylic acid group and a methylamino group attached to the 11th position. The compound belongs to the class of dibenzo[b,f]oxepine derivatives and exhibits pharmaceutical properties, potentially serving as an anti-inflammatory or psychotropic drug due to its structure and functional groups. It may also have potential applications in medicinal chemistry and drug development. Research on this compound may provide valuable insights into its pharmacological properties and potential therapeutic uses.

Upstream product

• 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 
• 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 
• 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 
• 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 

Relevant articles and documents

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 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.