10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine

10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine Basic information
Product Name:10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine
Synonyms:11-Oxo-10,11-dihydro-Dibenzo[b,f][1,4]thiazepine;10H-DIBENZO-(1,4)-THIAZEPINE-11-ONE;10,11-DIHYDRO-11-OXODIBENZO[B,F][1,4]THIAZEPINE;DIBENZO[B,F][1,4]THIAZEPINE-11-[10H]ONE (DBTO);10,11-Dihydro-11-oxo dibenzo-1,4-thiazepine;10H-DIBENZO[B,F][1,4]THIAZEPIN-11-ONE;DibenzoB,F1,4Thiazepine-11-(10H)One-Dptp;DIBENZO[B,F][1,4]THIAZEPINE-11-[10H]ONE
CAS:3159-07-7
MF:C13H9NOS
MW:227.28
EINECS:608-646-0;438-020-0
Product Categories:Quetiapine;(intermediate of quetiapine fumarate);Intermediates of Quetiapine;Heterocycles;API intermediates;Pharmaceutical Intermediates
Mol File:3159-07-7.mol
10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine Structure
10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine Chemical Properties
Melting point 265 °C
Boiling point 309.2±12.0 °C(Predicted)
density 1.292±0.06 g/cm3(Predicted)
storage temp. Keep in dark place,Sealed in dry,2-8°C
solubility DMSO (Slightly, Heated)
form Solid
pka12.40±0.20(Predicted)
color White to Off-White
InChIInChI=1S/C13H9NOS/c15-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)14-13/h1-8H,(H,14,15)
InChIKeyRTERDTBXBYNZIS-UHFFFAOYSA-N
SMILESS1C2=CC=CC=C2C(=O)NC2=CC=CC=C12
CAS DataBase Reference3159-07-7(CAS DataBase Reference)
Safety Information
Risk Statements 36/37/38
Safety Statements 26-36/37/39
HS Code 2934990002
MSDS Information
10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine Usage And Synthesis
Chemical PropertiesOff-White Powder
UsesDibenzo[b,f][1,4]thiazepine-11-[10H]one (Quetiapine EP Impurity G; Quetiapine Impurity G; Quetiapine USP-G) is an intermediate in the synthesis of quetiapine (Q510000).
10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine Preparation Products And Raw materials
Preparation ProductsQuetiapine DBTO Sulfone
Quetiapine IMpurity P (11-(4-Ethylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine fuMarate)) Quetiapine EP Impurity N DiHCl dibenzo[b,f][1,4]thiazepin-11-amine Quetiapine EP Impurity W Quetiapine EP Impurity W Quetiapine Sulfone 1,2-Bis[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethane Quetiapine EP Impurity N Quetiapine EP Impurity C 11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepine dihydrochloride Quetiapine N-Oxide Quetiapine Hydroxy Impurity 2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate 8-amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one 8-METHYLDIBENZO[B,F][1,4]THIAZEPIN-11(10H)-ONE 10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine 7-Benzyloxy-10,11-dihydrodibenzo[b,f[[1,4]thiazepin-11-one 8-METHOXY-10H-DIBENZO[B,F][1,4]THIAZEPIN-11-ONE

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