844639-07-2

Basic information

• Product Name: 2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate
• Synonyms: 2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate;Quetiapine Impurity A HCl (Quetiapine O-Acetyl Impurity HCl);Quetiapine EP Impurity A;Quetiapine Impurity 22;Quetiapine EP Impurity A HCl;Quetiapine EP Impurity A DiHCl (Quetiapine O-Acetyl Impurity DiHCl)
• CAS NO: 844639-07-2
• Molecular Formula: C₂₃H₂₇N₃O₃S
• Molecular Weight: 425.54378
• Mol File: 844639-07-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 569.1±60.0 °C(Predicted)
• Appearance: /
• Density: 1.25±0.1 g/cm3(Predicted)
• Storage Temp.: Refrigerator
• Solubility: DMSO (Slightly), Methanol (Slightly))
• PKA: 6.76±0.10(Predicted)
• CAS DataBase Reference: 2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate(844639-07-2)
• EPA Substance Registry System: 2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate(844639-07-2)

Safety Data

• Hazardous Substances Data: 844639-07-2(Hazardous Substances Data)

Usage

Uses

2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate (Quetiapine Impurity B; Quetiapine USP-B) is an impurity of Quetiapine Hemifumarate (Q510000), an antipsychotic.

Upstream product

• 844639-08-3 11-{4-[2-(2-benzyloxy-ethoxy)ethyl]-piperazin-1-yl}-dibenzo[b,f][1,4]thiazepine 
• 64-19-7 acetic acid 

Downstream Products

• 111974-69-7 Quetiapine 

Relevant articles and documents

PREPARATION OF QUETIAPINE

The present invention discloses a process for the preparation of quetiapine, which comprises the ring closure of a compound of the formula shown below, as well as novel intermediates in the process.

PROCEDURE FOR PREPARING A PHARMACEUTICALLY ACTIVE COMPOUND

The invention relates to a procedure for preparing quetiapine by reaction between a compound of formula (II) and a compound of formula (III), in which X means a leaving group and P a protective group of alcohols resistant to alkaline conditions, in the presence of a base, followed by a step of deprotection and, optionally, obtaining a pharmaceutically acceptable salt thereof. Said procedure permits the obtaining of quetiapine with a high degree of purity under soft temperature conditions, with short reaction times and avoiding the use of toxic solvents.