4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazineethanol

Modify Date: 2024-01-03 11:06:30

4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazineethanol Structure
4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazineethanol structure
Common Name 4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazineethanol
CAS Number 329216-67-3 Molecular Weight 339.454
Density 1.3±0.1 g/cm3 Boiling Point 523.4±60.0 °C at 760 mmHg
Molecular Formula C19H21N3OS Melting Point N/A
MSDS N/A Flash Point 270.3±32.9 °C

 Names

Name 2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethanol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 523.4±60.0 °C at 760 mmHg
Molecular Formula C19H21N3OS
Molecular Weight 339.454
Flash Point 270.3±32.9 °C
Exact Mass 339.140533
PSA 64.37000
LogP 2.27
Vapour Pressure 0.0±1.4 mmHg at 25°C
Index of Refraction 1.683
Storage condition 2-8°C

 Synthetic Route

~51%

4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazineethanol Structure

4-Dibenzo[b,f][...

CAS#:329216-67-3

Literature: CONCERT PHARMACEUTICALS INC. Patent: WO2008/66620 A2, 2008 ; Location in patent: Page/Page column 23-24 ;

~83%

4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazineethanol Structure

4-Dibenzo[b,f][...

CAS#:329216-67-3

Literature: AUSPEX PHARMACEUTICALS, INC. Patent: US2010/69356 A1, 2010 ; Location in patent: Page/Page column 26-27 ; US 20100069356 A1

~92%

4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazineethanol Structure

4-Dibenzo[b,f][...

CAS#:329216-67-3

Detail
Literature: UNION QUIMICO-FARMACEUTICA S.A. Patent: WO2006/94549 A1, 2006 ; Location in patent: Page/Page column 17-18 ;

~%

4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazineethanol Structure

4-Dibenzo[b,f][...

CAS#:329216-67-3

Literature: Warawa; Migler; Ohnmacht; Needles; Gatos; McLaren; Nelson; Kirkland Journal of Medicinal Chemistry, 2001 , vol. 44, # 3 p. 372 - 389

 Synonyms

1-Piperazineethanol, 4-dibenzo[b,f][1,4]thiazepin-11-yl-
Quetiapine Hydroxy Impurity Dihydrochloride Salt
2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl]ethanol
4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazineethanol
T C676 BS INJ C- AT6N DNTJ D2Q
O-Dealkyl Quetiapine
2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)-1-piperazinyl]ethanol
Quetiapine Hydroxy Impurity
4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazineethanol
Quetiapine Impurity 2
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