Ethyl 2-bromo-1,3-thiazole-5-carboxylate

Basic Information

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CAS Number

41731-83-3

Molecular Formula

C6H6BrNO2S

Molecular Weight

236.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

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

Physical State

Pale-yellow to Yellow-brown Liquid

Boiling Point

68°C/11mmHg

Water Solubility

Miscible is water.

Refractive Index

n20/D 1.5530(lit.)

SMILES

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CCOC(=O)C1=CN=C(S1)Br

InChI

InChI=1S/C6H6BrNO2S/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3

InChIKey

KTYIFXLNIMPSKI-UHFFFAOYSA-N

LogP

2.0823

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

156

Safety Information

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GHS Hazard Pictograms

H317

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

Synonyms & References

English

EN300-52388
2-Bromo-5-(ethoxycarbonyl)thiazole
AKOS005146124
Q-102475
2-Bromo-thiazole-5-carboxylic acid ethyl ester
CS-W002625
Ethyl 2-bromo-5-thiazolecarboxylate
DTXSID50394264
PB30639
2-bromothiazole-5-carboxylic acid ethyl ester
41731-83-3
FS-2192
2-bromo-1,3-thiazole-5-carboxylic acid ethyl ester
ethyl 2-bromo-1,3-thiazole-5-carboxylate
AC-5471
E0891
STR07913
CHEMBL5203343
FT-0600585
2-bromo-1,3-thiazole-5-carboxylic ethyl ester
A6868
SY006696
AM20100104
Ethyl 2-bromothiazole-5-carboxylate
HY-W002625
2-bromo-5-thiazolecarboxylic acid ethyl ester
MFCD00463837
Ethyl2-bromothiazole-5-carboxylate
KTYIFXLNIMPSKI-UHFFFAOYSA-N
ETHYL-2-BROMOTHIAZOLE-5-CARBOXYLATE
SCHEMBL274346

MDL Number

MFCD00463837

Customs Code

2934100090

FAQ

What are the physical and chemical properties of Ethyl 2-bromo-1,3-thiazole-5-carboxylate (CAS: 41731-83-3)?

Ethyl 2-bromo-1,3-thiazole-5-carboxylate (CAS: 41731-83-3) is a crystalline compound with a molecular weight of approximately 235.04 g/mol. It is slightly soluble in water but readily dissolves in organic solvents like ethanol and acetone. The compound exhibits limited reactivity, primarily undergoing nucleophilic substitution reactions due to the bromine atom and carboxylic acid ester functionality.

How is Ethyl 2-bromo-1,3-thiazole-5-carboxylate (CAS: 41731-83-3) typically synthesized?

Ethyl 2-bromo-1,3-thiazole-5-carboxylate (CAS: 41731-83-3) is typically synthesized through the reaction of 1,3-thiazole-5-carboxylic acid with bromoethylamine. This process involves the substitution of the amine group with a bromoethyl group, followed by esterification with ethanol. The reaction is catalyzed by a suitable base like sodium hydride and proceeds with good selectivity and a yield of up to 85%.

What industries use Ethyl 2-bromo-1,3-thiazole-5-carboxylate (CAS: 41731-83-3)?

Ethyl 2-bromo-1,3-thiazole-5-carboxylate (CAS: 41731-83-3) is used in the pharmaceutical industry for the preparation of various medicinal compounds. It is also utilized in the polymer industry for the modification of polymer properties and in sensor technology for detecting specific chemical species. Additionally, it finds applications in semiconductor manufacturing processes where its electronic properties are exploited.

What precautions should be taken when handling Ethyl 2-bromo-1,3-thiazole-5-carboxylate (CAS: 41731-83-3)?

When handling Ethyl 2-bromo-1,3-thiazole-5-carboxylate (CAS: 41731-83-3), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The compound should be stored in a well-ventilated area, away from direct sunlight and heat sources. In case of spillage, it should be immediately cleaned up using appropriate absorbent materials and the spill site should be decontaminated. Always refer to the safety data sheet (SDS) for detailed handling and disposal instructions.