11-(1-Piperazinyl)dibenzo[b,f][1,4]thiazepine dihydrochloride

Basic Information

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CAS Number

111974-74-4

Molecular Formula

C17H19Cl2N3S

Molecular Weight

368.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Solid

Melting Point

256-258°C

Boiling Point

513.3°C at 760 mmHg

SMILES

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C1CN(CCN1)C2=NC3=CC=CC=C3SC4=CC=CC=C42.Cl.Cl

InChI

InChI=1S/C17H17N3S.2ClH/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;2*1H

InChIKey

PZQCQHZDUIIKFU-UHFFFAOYSA-N

LogP

3.978300000000003

Topological Polar Surface Area

27.63 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

392

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

AM20020202
PD129973
Norquetiapine dihydrochloride
SCHEMBL8507
Q27268910
N-Des[2-(2-hydroxyethoxy)ethyl] Quetiapine Dihydrochloride (1.0 mg/mL in Methanol)
7VJ4TC63IL
11-piperazin-1-yl-dibenzo[b,f][1,4]thiazepine 2hcl
AC-1919
MFCD08703302
FT-0600381
SB30701
C17H19Cl2N3S
11-(1-Piperazinyl)dibenzo[b,f][1,4]thiazepine Dihydrochloride
11-Piperazin-1-yl-dibenzo[b,f][1,4]thiazepine dihydrochloride
UNII-7VJ4TC63IL
11-(Piperazin-1-yl)dibenzo[b,f][1,4]thiazepine--hydrogen chloride (1/2)
11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepine dihydrochloride
Norquetiapine 2HCl
11-Piperazinodibenzo[b,f][1,4]thiazepine dihydrochloride
11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepine 2HCl
111974-74-4
N-Des[2-(2-hydroxyethoxy)ethyl] Quetiapine Dihydrochloride
11-Piperazin-1-yldibenzo(b,f)(1,4)thiazepine dihydrochloride
EC 700-276-9
DTXSID60600505
11-piperazinyldibenzo[b,f][1,4]thiazepine dihydrochloride
11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepinedihydrochloride
BCP14824
AKOS015895322
KS-5300

MDL Number

MFCD08703302

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 11-(1-Piperazinyl)dibenzo[b,f][1,4]thiazepine dihydrochloride (CAS: 111974-74-4)?

11-(1-Piperazinyl)dibenzo[b,f][1,4]thiazepine dihydrochloride is a crystalline solid with a molecular weight of approximately 416.66 g/mol. It has good solubility in water and organic solvents. This compound is less reactive with common reagents, but caution is advised during strong acid or base treatments. It is stable under normal storage conditions but may degrade under extreme pH conditions.

How is 11-(1-Piperazinyl)dibenzo[b,f][1,4]thiazepine dihydrochloride (CAS: 111974-74-4) typically synthesized?

11-(1-Piperazinyl)dibenzo[b,f][1,4]thiazepine dihydrochloride is synthesized through a multi-step process involving the reaction of piperazine with dibenzothiazepine derivatives. Commonly, the synthesis involves condensation reactions under basic conditions, followed by hydrochloric acid treatment to form the dihydrochloride salt. The reaction yields are typically around 70-80%, with excellent selectivity towards the target product.

What industries use 11-(1-Piperazinyl)dibenzo[b,f][1,4]thiazepine dihydrochloride (CAS: 111974-74-4)?

11-(1-Piperazinyl)dibenzo[b,f][1,4]thiazepine dihydrochloride is primarily used in the pharmaceutical industry for its potential as an antipsychotic agent. It also finds applications in the development of sensors and polymers due to its unique chemical properties. Additionally, it is explored in semiconductor research for its electronic properties.

What precautions should be taken when handling 11-(1-Piperazinyl)dibenzo[b,f][1,4]thiazepine dihydrochloride (CAS: 111974-74-4)?

When handling 11-(1-Piperazinyl)dibenzo[b,f][1,4]thiazepine dihydrochloride, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a cool, dry place away from direct sunlight and strong acids. In case of a spill, ensure proper ventilation and use appropriate absorbents to contain the spill. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.