65621-78-5

Basic information

• Product Name: cis-5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole
• Synonyms: cis-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz(2,3:6,7)oxepino(4,5-c)pyrrole
• CAS NO: 65621-78-5
• Molecular Formula: C₁₇H₁₆ClNO
• Molecular Weight: 285.768
• EINECS: 265-846-7
• Mol File: 65621-78-5.mol
• Article Data: 32

Chemical Properties

• Boiling Point: 357.9°C at 760 mmHg
• Flash Point: 170.2°C
• Density: 1.231g/cm³
• Vapor Pressure: 2.65E-05mmHg at 25°C
• Refractive Index: 1.609
• CAS DataBase Reference: cis-5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole(CAS DataBase Reference)
• NIST Chemistry Reference: cis-5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole(65621-78-5)
• EPA Substance Registry System: cis-5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole(65621-78-5)

Safety Data

• Hazardous Substances Data: 65621-78-5(Hazardous Substances Data)

Usage

General Description

"Cis-5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole" is a chemical compound with a specified geometry and arrangement of atoms. The prefix 'cis' indicates that certain groups are on the same side of the molecule, while 'chloro' signifies the presence of a chlorine atom. The compound is characterized by having a cyclic structure, as suggested by the 'dibenz' notation, which indicates two benzene rings. The other elements of the name denote the presence of carbon (suggested by 'tetrahydro'), hydrogens, a methyl group, and a pyrrole group, alongside an oxepino group. Specific information such as its physical and chemical properties, uses, toxicity, or occurrence in nature are not provided by the name itself and would likely need to come from further scientific characterization or data.

Upstream product

• 50-00-0 formaldehyd 
• 27449-95-2 5-chloro-2-methyl-2,3-dihydro-1H-dibenzo[2,3;6,7]oxepino[4,5-c]pyrrole 
• 80866-80-4 2-chloro-5-nitrobenzyl alcohol 
• 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 
• 1170701-78-6 trans-5-chloro-2,3,3a,12b-tetrahydro-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole hydrochloride 
• 85650-55-1 asenapine maleate 

Downstream Products

• 85650-55-1 asenapine maleate 
• 85650-55-1 trans-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole maleate 
• 85650-55-1 trans-5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole maleate 
• 85650-55-1 aenapine maleate 
• 85650-55-1 asenapine maleate 

Relevant articles and documents

The Ireland-Claisen rearrangement strategy towards the synthesis of the schizophrenia drug, (+)-asenapine

(±)-Asenapine, sold in the market as Saphris/Sycrest for the treatment of bipolar disorders, is synthesized in an optically pure form involving an Ireland-Claisen rearrangement as the key step. This approach allows access to all diastereomers.

Asymmetric total synthesis of (+)-asenapine

Asymmetric total synthesis of (+)-asenapine, an atypical antipsychotic drug, used for treating schizophrenia and acute mania associated with bipolar disorder, is reported. The key steps are the organocatalytic Michael addition of aldehydes to trans-nitroa

For the preparation of asenapine and used for preparing intermediates of asenapine

The invention relates to a method for preparing asenapine shown in a general formula (11) and an intermediate shown in a general formula (8) and used for preparing asenapine. The general formulas are shown in the specification. The method comprises the following steps: obtaining a compound shown in a general formula (9) through ring-closure reaction of the compound shown in the general formula (8); obtaining a compound shown in a general formula (10) through reduction reaction of the compound shown in the general formula (9); obtaining asenapine shown in the general formula (11) through substitution reaction of the compound shown in the general formula (10), wherein in the general formula (8), R1 represents halogen, preferably chlorine or bromine.