N-Des[2-(2-hydroxyethoxy)ethyl] Quetiapine

Base Information

• Chemical Name: N-Des[2-(2-hydroxyethoxy)ethyl] Quetiapine
• CAS No.: 5747-48-8
• Molecular Formula: C17H17N3S
• Molecular Weight: 295.408
• Hs Code.: 2934999090
• Mol file: 5747-48-8.mol

Synonyms:11-(1-Piperazinyl)dibenzo[b,f][1,4]thiazepine;11-Piperazinodibenzo[b,f][1,4]thiazepine;N-Desalkylquetiapine;

Chemical Property of N-Des[2-(2-hydroxyethoxy)ethyl] Quetiapine

Chemical Property:

• Appearance/Colour: Pale-Yellow Solid
• Boiling Point: 465.2 °C at 760 mmHg
• PKA: 8.55±0.10(Predicted)
• Flash Point: 235.2 °C
• PSA: 52.93000
• Density: 1.3 g/cm³
• LogP: 2.83700
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C

Purity/Quality:

99% ^*data from raw suppliers

11-Piperazin-1-yl-dibenzo[b,f][1,4]thiazepine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 11-(Piperazin-1-yl)dibenzo[b,f][1,4]thiazepine is a metabolite of Quetiapine, a Benzothiazepine with mixed serotonin and dopamine receptor antagonistic properties used as an antipsychotic.

Technology Process of N-Des[2-(2-hydroxyethoxy)ethyl] Quetiapine

There total 18 articles about N-Des[2-(2-hydroxyethoxy)ethyl] Quetiapine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

piperazine (110-85-0) + titanium(IV) isopropylate (546-68-9) + dibenzo[b,f][1,4]thiazepin-11-one (3159-07-7) → 11-(1-piperazinyl)dibenzo[b,f][1,4]thiazepine (5747-48-8) + isopropyl alcohol (67-63-0,8013-70-5)

Guidance literature:

at 170 ℃; for 5h; Heating / reflux;

Reference yield: 97.0%

N-Dealkyl Quetiapine dihydrochloride (111974-74-4) → 11-(1-piperazinyl)dibenzo[b,f][1,4]thiazepine (5747-48-8)

Guidance literature:

With sodium hydroxide; In ethyl acetate;

DOI:10.1016/j.bmcl.2017.07.029

Reference yield: 88.0%

piperazine (110-85-0) + 11-chloro-dibenzo[b,f][1,4]thiazepine (13745-86-3) → 11-(1-piperazinyl)dibenzo[b,f][1,4]thiazepine (5747-48-8)

Guidance literature:

With hydrogenchloride; In ethanol; toluene;

upstream raw materials:

N-[(2-phenylthio)phenyl]-1-piperazinylcarboxamide

piperazine

dibenzo[b,f][1,4]thiazepin-11-one

11-chloro-dibenzo[b,f][1,4]thiazepine

Downstream raw materials:

N-Dealkyl Quetiapine dihydrochloride

11-piperazin-1-yldibenzo[b,f][1,4]thiazepine hydrochloride

Quetiapine

1-(4-dibenzo[b,f][1,4]thiazepin-11-yl-piperazin-1-yl)-ethanone

Refernces

• 1、 Beloti, Luiz G.M.,Miranda, Luis F.C.,Queiroz, Maria Eugênia C.. "Butyl methacrylate-co-ethylene glycol dimethacrylate monolith for online in-tube SPME-UHPLC-MS/MS to determine chlopromazine, clozapine, quetiapine, olanzapine, and their metabolites in plasma samples". . . Retrieved 2019/02/07.
• 2、 Sharada,Satyanarayana Reddy,Sammaiah,Sumalatha. "Diversified synthesis of novel quinoline and dibenzo thiazepine derivatives using known active intermediates". . p. 7959 - 7966. Retrieved 2013/09/23.