tert-Butyl (2-bromo-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)carbamate

Basic Information

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CAS Number

1251009-79-6

Molecular Formula

C12H17BrN2O2S

Molecular Weight

333.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Boiling Point

432.5±34.0°C at 760 mmHg

SMILES

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CC(C)(C)OC(=O)NC1CCC2=C(C1)SC(=N2)Br

InChI

InChI=1S/C12H17BrN2O2S/c1-12(2,3)17-11(16)14-7-4-5-8-9(6-7)18-10(13)15-8/h7H,4-6H2,1-3H3,(H,14,16)

InChIKey

IYHSCTMUOVWIJY-UHFFFAOYSA-N

LogP

3.287600000000002

Topological Polar Surface Area

51.22 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

322

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

tert-Butyl (2-bromo-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)carbamate
tert-butyl N-(2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)carbamate
IYHSCTMUOVWIJY-UHFFFAOYSA-N
(2-Bromo-4,5,6,7-tetrahydrobenzothiazol-6-yl)carbamic acid tert-butyl ester
SCHEMBL15738520
1251009-79-6
F19614
MFCD13195380
2-Bromo-6-(boc-amino)-4,5,6,7-tetrahydrobenzo[d]thiazole
AKOS022175872
BAC00979
CS-0038758
DTXSID50857607
tert-Butyl (2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)carbamate
A908722
DB-246789
DS-11975
tert-Butyl(2-bromo-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)carbamate
(2-Bromo-4,5,6,7-tetrahydro-benzothiazol-6-yl)-carbamic acid tert-butyl ester

MDL Number

MFCD27918568

FAQ

What is tert-Butyl (2-bromo-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)carbamate (CAS: 1251009-79-6)?

tert-Butyl (2-bromo-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)carbamate (CAS: 1251009-79-6) is a complex organic chemical compound that contains a thiazole ring system with a 2-bromo substituent and a tert-butyl group attached to the carbamate moiety. It is characterized by its stability and potential reactivity in organic synthesis.

What are the main uses of tert-Butyl (2-bromo-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)carbamate (CAS: 1251009-79-6)?

tert-Butyl (2-bromo-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)carbamate (CAS: 1251009-79-6) is primarily used in pharmaceutical research as a synthetic intermediate for developing new drugs and in organic synthesis for the preparation of other chemical compounds.

Is tert-Butyl (2-bromo-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)carbamate (CAS: 1251009-79-6) safe?

tert-Butyl (2-bromo-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)carbamate (CAS: 1251009-79-6) is generally safe when handled properly. However, it should be used with caution due to its reactivity and potential for skin and eye irritation. Appropriate personal protective equipment (PPE) should be worn, and contact with skin and eyes should be avoided. Storage and disposal should follow standard chemical safety guidelines.

How should tert-Butyl (2-bromo-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)carbamate (CAS: 1251009-79-6) be stored?

tert-Butyl (2-bromo-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)carbamate (CAS: 1251009-79-6) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly closed container to prevent moisture absorption. Proper ventilation should be maintained, and it should be stored at a temperature below 25°C to ensure stability and safety.