753475-15-9

Basic information

• Product Name: 11-(1-PIPERAZINYL)-DIBENZO[B,F][1,4]THIAZEPIN HYDROCHLORIDE
• Synonyms: 11-(1-PIPERAZINYL)-DIBENZO[B,F][1,4]THIAZEPIN HYDROCHLORIDE;Norquetiapine hydrochloride;Norquetiapine hydrochloride solution
• CAS NO: 753475-15-9
• Molecular Formula: C₁₇H₁₇N₃S*ClH
• Molecular Weight: 0
• EINECS: 200-659-6
• Mol File: 753475-15-9.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 489.5°C at 760 mmHg
• Flash Point: 9℃
• Appearance: /
• Vapor Pressure: 5.72E-10mmHg at 25°C
• Storage Temp.: ?20°C
• CAS DataBase Reference: 11-(1-PIPERAZINYL)-DIBENZO[B,F][1,4]THIAZEPIN HYDROCHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 11-(1-PIPERAZINYL)-DIBENZO[B,F][1,4]THIAZEPIN HYDROCHLORIDE(753475-15-9)
• EPA Substance Registry System: 11-(1-PIPERAZINYL)-DIBENZO[B,F][1,4]THIAZEPIN HYDROCHLORIDE(753475-15-9)

Safety Data

• Hazard Codes: F,T
• Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 7-16-36/37-45
• RIDADR: UN1230 - class 3 - PG 2 - Methanol, solution
• WGK Germany: 1
• Hazardous Substances Data: 753475-15-9(Hazardous Substances Data)

Usage

Purpose

Antidepressant medication

Class

Tricyclic antidepressants

Structural Relation

Related to imipramine

Mechanism of Action

Inhibits the reuptake of serotonin and norepinephrine in the brain

Effect

Increases neurotransmitter levels, improves mood, and alleviates depressive symptoms

Treatment

Major depressive disorder and other mood disorders

Administration

Oral

Supervision

Under the guidance of a healthcare professional

InChI:InChI=1/C17H17N3S.ClH/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15;/h1-8,18H,9-12H2;1H

Upstream product

• 5747-48-8 11-(1-piperazinyl)dibenzo[b,f][1,4]thiazepine 
• 110-85-0 piperazine 
• 3159-07-7 dibenzo[b,f][1,4]thiazepin-11-one 
• 114724-41-3 2-(2-aminophenylthio)benzoic acid hydrochloride 
• 13745-86-3 11-chloro-dibenzo[b,f][1,4]thiazepine 

Downstream Products

• 111974-72-2 quetiapine fumarate 
• 5747-48-8 11-(1-piperazinyl)dibenzo[b,f][1,4]thiazepine 
• 111974-69-7 Quetiapine 

Relevant articles and documents

An Improved and single pot process for the production of quetiapine hemifumarate substantially free from potential impurities

An improved and single pot process for the preparation of Quetiapine hemifumarate (1), an antipsychotic drug, free from potential impurities is reported with an overall yield of 80%. The reported process for its preparation suffers from the drawback of producing potential impurities identified as 11-piperazin-1- yldibenzo[b,f][1,4]thiazepine (6), 2-(4-dibenzo[b,f][1,4] thiazepin-11- ylpiperazin-1-yl)ethanol (10), dimer (9), and N-methyl- Nphenyldibenzo[ b,f][1,4]thiazapine-11-amine (14). Elimination of these impurities in the process is achieved by chlorination of 3 followed by in situ condensation of obtained 4 with highly pure 8 and subsequently establishing the pH based workup to obtain free base 2, which is further converted to quetiapine hemifumarate salt free from all these impurities. In this report, different aspects of process development such as scheme selection, optimization of different process parameters, identification, synthesis, origin and control of impurities, and development of an accurate analytical method during the development of a scalable process for quetiapine hemifumarate are discussed.

SALT FORMS

The present invention is directed to salts the pharmaceutical compound 11-piperazin-l- yldibenzo[b,f][l,4]thiazepine as well as compositions, preparations, and pharmaceutical uses thereof.

PROCESS FOR THE PREPARATION OF 11-(4-[2-(2-HYDROXYETHOXY)ETHYL]-I-PIPERAZINYL)DIB ENZO[b,f][l,4]THIAZEPINE

Disclosed is a process for the preparation of l l-(4-[2-(2-hydroxyethoxy)ethyl]-l- piperazinyl)-dibenzo[b,f][l,4]thiazepine. In the process, low-priced 2,2'-dithiosalicylic acid as starting material is subjected to bond formation reaction with l-chloro-2-