3158-91-6

Basic information

• Product Name: 2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one
• Synonyms: 2-CHLORO-DIBENZ(B,F)(1,4)OXAZEPIN-11(10H)ONE;2-CHLORO-10,11-DIHYDRO-11-OXO-DIBENZO[B,F][1,4]OXAZEPINE;2-Chlorodibenzoxapine;2-Chloro-10,11-Dihydro-11-Oxo-Dibenz[b,f][1,4]oxazepine;2-CHLORO-10,11-DIHYDRO-11-OXO-DIBEN(B,F)(1,4)OXAZEPINE;2-Chloro-10,11-Dihydro-11-Oxo-Diben(B,F)(1,4)Oxazepine(ForAmoxapine);2-chloro-10,11-dihydro-11-oxo-dibenz[b,f][1,4]oxazepine (intermediate of amoxapine);3-chloro-5H-benzo[b][1,4]benzoxazepin-6-one
• CAS NO: 3158-91-6
• Molecular Formula: C₁₃H₈ClNO₂
• Molecular Weight: 245.66
• EINECS: 221-602-1
• Product Categories: (intermediate of amoxapine);Aromatics Compounds;Aromatics;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 3158-91-6.mol
• Article Data: 4

Chemical Properties

• Melting Point: 242-244°C
• Boiling Point: 320.8 °C at 760 mmHg
• Flash Point: 147.8 °C
• Appearance: Tan solid
• Density: 1.369 g/cm³
• Vapor Pressure: 0.000844mmHg at 25°C
• Refractive Index: 1.629
• Storage Temp.: Refrigerator
• Solubility: DMSO (Sparingly, Heated), Methanol Slightly)
• PKA: 12.23±0.20(Predicted)
• CAS DataBase Reference: 2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one(3158-91-6)
• EPA Substance Registry System: 2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one(3158-91-6)

Safety Data

• Hazardous Substances Data: 3158-91-6(Hazardous Substances Data)

Usage

Chemical Properties

Tan Solid

Uses

Different sources of media describe the Uses of 3158-91-6 differently. You can refer to the following data:
1. Amoxapine intermediate
2. Amoxapine intermediate.

InChI:InChI=1/C13H8ClNO2/c14-8-5-6-12-10(7-8)15-13(16)9-3-1-2-4-11(9)17-12/h1-7H,(H,15,16)

Upstream product

• 1977-10-2 loxapine 
• 14028-44-5 amoxapine 
• 1996-30-1 2-bromo-4-chloro-1-fluorobenzene 
• 201230-82-2 carbon monoxide 
• 95-55-6 2-amino-phenol 

Downstream Products

• 14028-44-5 amoxapine 
• 3455-14-9 2,11-dichloro-dibenzo[b,f][1,4]oxazepine 
• 69478-67-7 11-(4-tert-butyl-piperazin-1-yl)-2-chloro-dibenzo[b,f][1,4]oxazepine 
• 69478-52-0 [1-(2-chloro-dibenzo[b,f][1,4]oxazepin-11-yl)-piperidin-3-yl]-dimethyl-amine 
• 69478-50-8 2-chloro-11-(4-methyl-[1,4]diazepan-1-yl)-dibenzo[b,f][1,4]oxazepine 

Relevant articles and documents

Elucidation of degradation behavior of tricyclic antidepressant amoxapine in artificial gastric juice

The degradation behavior of eight tricyclic antidepressants (TCAs; amitriptyline, amoxapine (AMX), imipramine, clomipramine, desipramine, doxepin, dothiepin, and nortriptyline) in artificial gastric juice was investigated to estimate their pharmacokinetics in the stomach. As a result, among the eight TCAs, only AMX was degraded in artificial gastric juice. The degradation was a pseudo first-order reaction; activation energy (Ea) was 88.70kJ/mol and activation entropy (ΔS) was ?80.73J/K·mol. On the other hand, the recovery experiment revealed that the degradation product did not revert to AMX and accordingly, this reaction was considered to be irreversible. In the AMX degradation experiment, peaks considered to be degradation products A (I) and B (II) were detected at retention times of around 3min and 30min in LC/UV measurements, respectively. Structural analysis revealed that compound (I) was [2-(2-aminophenoxy)-5-chlorophenyl]-piper-azin-1-yl-methanone, a new compound, and compound (II) was 2-chlorodibenzo[b,f][1,4]oxazepin-11(10H)-one. As for the degradation behavior, it was estimated that AMX was degraded into (II) via (I), i.e., (II) was the final product. The results are expected to be useful in clinical chemistry and forensic science, including the estimation of drugs to be used at the time of judicial dissection and suspected drug addiction.

SYSTEM PROVIDING CONTROLLED DELIVERY OF GASEOUS CO FOR CARBONYLATION REACTIONS

A carbonylation system comprising at least one carbon monoxide producing chamber and at least one carbon monoxide consuming chamber forming an interconnected multi-chamber system, said interconnection allowing carbon monoxide to pass from the at least one carbon monoxide producing chamber to the at least one carbon monoxide consuming chamber, said at least one carbon monoxide producing chamber containing a reaction mixture comprising a carbon monoxide precursor and a catalyst, said at least one carbon monoxide consuming chamber being suitable for carbonylation reactions, said interconnected multi- chamber system being sealable from the surrounding atmosphere during carbonylation.