2-Methyl-2-propanyl (4-bromo-1,3-thiazol-2-yl)methylcarbamate

Basic Information

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CAS Number

1000576-79-3

Molecular Formula

C9H13BrN2O2S

Molecular Weight

293.19 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CN(c1scc(n1)Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C9H13BrN2O2S/c1-9(2,3)14-8(13)12(4)7-11-6(10)5-15-7/h5H,1-4H3

InChIKey

BDDLXGFSUQQZHA-UHFFFAOYSA-N

LogP

3.276900000000002

Topological Polar Surface Area

42.43000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

245

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

tert-Butyl (4-bromothiazol-2-yl)(methyl)carbamate
tert-Butyl (4-bromothiazol-2-yl)
tert-butyl N-(4-bromo-1,3-thiazol-2-yl)-N-methylcarbamate
(4-BroMo-thiazol-2-yl)-Methyl-carbaMic acid tert-butyl ester
TERT-BUTYL (4-BROMOTHIAZOL-2-YL)METHYLCARBAMATE
PubChem17864
BCP19269
FCH1627199
AX8158307
AB0068715
ST24031695
tert-Butyl((4-bromothiazol-2-yl)methyl)carbamate
299B879
tert-butyl (

MDL Number

MFCD09878588

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl (4-bromo-1,3-thiazol-2-yl)methylcarbamate (CAS: 1000576-79-3)?

2-Methyl-2-propanyl (4-bromo-1,3-thiazol-2-yl)methylcarbamate is a crystalline solid with a molecular weight of approximately 329.2 g/mol. It is slightly soluble in water but more soluble in organic solvents like methanol and ethanol. This compound exhibits good reactivity towards nucleophiles and can undergo substitution reactions. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is 2-Methyl-2-propanyl (4-bromo-1,3-thiazol-2-yl)methylcarbamate (CAS: 1000576-79-3) typically synthesized?

2-Methyl-2-propanyl (4-bromo-1,3-thiazol-2-yl)methylcarbamate is typically synthesized via a multistep process involving the coupling of 2-methyl-2-propanol and 4-bromo-1,3-thiazol-2-amine under the presence of a coupling reagent like HATU (O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate). The reaction proceeds with good yield and high selectivity.

What industries use 2-Methyl-2-propanyl (4-bromo-1,3-thiazol-2-yl)methylcarbamate (CAS: 1000576-79-3)?

2-Methyl-2-propanyl (4-bromo-1,3-thiazol-2-yl)methylcarbamate is primarily used in the pharmaceutical industry for developing new drug candidates. It is also utilized in research for its unique chemical properties, such as its potential as a biological probe and its ability to interact with specific biomolecules.

What precautions should be taken when handling 2-Methyl-2-propanyl (4-bromo-1,3-thiazol-2-yl)methylcarbamate (CAS: 1000576-79-3)?

When handling 2-Methyl-2-propanyl (4-bromo-1,3-thiazol-2-yl)methylcarbamate, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated fume hood due to its potential to produce toxic gases. In the event of a spill, it should be carefully cleaned up using appropriate absorbents, and the area should be thoroughly cleaned with water. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.