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

Uses

Used in Pharmaceutical Industry:
Used in Chemical Research:
In the field of chemical research, cis-5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole serves as a subject of study for understanding the properties and reactivity of complex organic molecules. Its synthesis and characterization can provide insights into the behavior of similar compounds and contribute to the broader knowledge of organic chemistry.
Used in Material Science:
cis-5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole may be utilized in material science applications, where its unique structure could be employed to develop new materials with specific properties. For instance, it could be used in the creation of advanced polymers or as a component in the synthesis of novel materials with applications in electronics or other industries.

Upstream product

• 50-00-0 formaldehyd 
• 1366179-34-1 tributylamine salt of 2-(2-(4-chlorophenoxy)phenyl)acetic acid 
• 912356-09-3 cis 5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one 
• 912356-09-3 trans 5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one 
• 1035404-19-3 methyl-N-[2-(4-chloro-2-phenoxyphenyl)-1-oxo-ethyl]-N-methylglycinate 
• 57486-68-7 methyl (2-chlorophenyl)acetate 
• 1035404-17-1 ethyl N-[2-[2-(4-chlorophenoxy)phenyl]acetyl]-N-methylglycinate 
• 912356-09-3 cis-5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one 
• 934996-79-9 5-chloro-2-methyl-2,3-dihydro-1H-dibenzo[2,3:6,7]oxepino [4,5-c]pyrrole-1-one 
• 25563-04-6 o-(p-chlorophenoxy)phenylacetic acid 
• 106-48-9 4-chloro-phenol 

Downstream Products

• 85650-55-1 asenapine maleate 
• 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 

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.

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.

Method for preparing asenapine

The invention relates to a method for preparing asenapine. Specifically, the invention relates to a method for preparing a medicinal asenapine free alkali and a crystal form thereof, and also relatesto a preparation method of an intermediate compound used in the method.

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 (9) and an intermediate shown in a general formula (7) and used for preparing asenapine. The general formulas are shown in the specification. The method comprises the step that asenapine shown in the general formula (9) is obtained through ring-closure reaction of a compound shown in a general formula (8).

From the Promiscuous Asenapine to Potent Fluorescent Ligands Acting at a Series of Aminergic G-Protein-Coupled Receptors

Monoamine neurotransmitters such as serotonin, dopamine, histamine, and noradrenaline have important and varied physiological functions and similar chemical structures. Representing important pharmaceutical drug targets, the corresponding G-protein-couple

A process for the preparation of key intermediate asenapine

The invention provides a chemical synthesis method, in particular to a preparation method of a key intermediate [formula (III)] compound of asenapine capable of serving as a schizophrenia drug. In an anhydrous system, the intermediate [formula (III)] compound is obtained through dehydration of an intermediate [formula (II)] compound and anhydride under the action of a catalyst. The invention further provides a novel method for preparing asenapine by the intermediate [formula (III)]. The provided method has the advantages of simple operation, high yield, environment-friendliness, lower cost, stable technology and the like.

Novel method for removing methyl impurity in preparation of asenapine

The invention relates to a novel method for removing the methyl impurity in the preparation of asenapine. According to the method, asenapine maleate is taken as the raw material, then asenapine maleate is decomposed, the free alkalis and ethyl chloroformate are refluxed in toluene, and the product reacts with hydrobromic acid under reflux to obtain the methyl-free asenapine product. The method has the advantages of high yield and simple and convenient operation.

Used for preparing hyperosteogeny Yanyou Chinese hyperosteogeny Yanyou Chinese the reducer and method of manufacturing

The invention discloses a reducing agent for preparing Asenapine and a preparation method of Asenapine, wherein one of the embodiments of the invention discloses the reducing agent for preparing Asenapine, which comprises an organic metal expressed as a chemical formula (I) or (II) shown in the Specification; in the chemical formula (I), R1 to R3 independently comprises -H, -OCH2CH2OCH3 or -OCH2CH2OCH2CH3, M comprises Li or Na; in the chemical formula (II), R1 to R2 independently comprise -H, -CH3, -CH2CH3 or -CH2CH(CH3)2 and acid. The invention further provides the preparation method of Asenapine.

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.