Ethyl 2-(3-bromophenyl)-1,3-thiazole-4-carboxylate

Basic Information

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CAS Number

786654-97-5

Molecular Formula

C12H10BrNO2S

Molecular Weight

312.19 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

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

415.2°C at 760 mmHg

Density

1.5

Flash Point

204.9°C

Refractive Index

1.602

SMILES

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CCOC(=O)C1=CSC(=N1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C12H10BrNO2S/c1-2-16-12(15)10-7-17-11(14-10)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3

InChIKey

DXNNRQNTJYNOPB-UHFFFAOYSA-N

LogP

3.7493000000000016

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

277

Synonyms & References

English

786654-97-5
SCHEMBL4726197
DTXSID70674292
2-(3-bromophenyl)thiazole-4-carboxylic acid ethyl ester
DXNNRQNTJYNOPB-UHFFFAOYSA-N
FT-0702054
2-(3-bromo-phenyl)-thiazole-4-carboxylic acid ethyl ester, AldrichCPR
ETHYL 2-(3-BROMOPHENYL)-1,3-THIAZOLE-4-CARBOXYLATE
AKOS016003369
MFCD06738338
AS-45739
2-(3-Bromo-phenyl)-thiazole-4-carboxylic acid ethyl ester
J-520599
A864993
Ethyl 2-(3-bromophenyl)thiazole-4-carboxylate
AB26931
BL000402
CS-0340916
Ethyl2-(3-bromophenyl)thiazole-4-carboxylate
2-(3-BROMO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
2-(3-BROMOPHENYL)THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
4-Thiazolecarboxylicacid, 2-(3-bromophenyl)-, ethyl ester
ethyl 2-(3-bromophenyl)-1,3-thiazole-4-carboxylate

MDL Number

MFCD06738338

Customs Code

2934100090

FAQ

What are the physical and chemical properties of Ethyl 2-(3-bromophenyl)-1,3-thiazole-4-carboxylate (CAS: 786654-97-5)?

Ethyl 2-(3-bromophenyl)-1,3-thiazole-4-carboxylate (CAS: 786654-97-5) is a crystalline solid with a molecular weight of approximately 383.04 g/mol. It has low solubility in water but is soluble in organic solvents such as ethanol and acetone. This compound is moderately reactive and can undergo substitution reactions. It is stable under normal conditions but requires handling in a fume hood to prevent inhalation exposure.

How is Ethyl 2-(3-bromophenyl)-1,3-thiazole-4-carboxylate (CAS: 786654-97-5) typically synthesized?

Ethyl 2-(3-bromophenyl)-1,3-thiazole-4-carboxylate (CAS: 786654-97-5) is typically synthesized through a multistep process involving the bromination of a phenyl group followed by coupling with 1,3-thiazole-4-carboxylic acid ethyl ester. Commonly used catalysts include thionyl chloride and triethylamine. The reaction yields a product with high selectivity and good yield, suitable for further chemical transformations.

What industries use Ethyl 2-(3-bromophenyl)-1,3-thiazole-4-carboxylate (CAS: 786654-97-5)?

Ethyl 2-(3-bromophenyl)-1,3-thiazole-4-carboxylate (CAS: 786654-97-5) is primarily used in the pharmaceutical industry for the synthesis of various drug candidates. It is also utilized in the development of sensors and semiconductors due to its unique chemical properties. Additionally, it may find applications in the polymer industry, although specific uses are limited.

What precautions should be taken when handling Ethyl 2-(3-bromophenyl)-1,3-thiazole-4-carboxylate (CAS: 786654-97-5)?

When handling Ethyl 2-(3-bromophenyl)-1,3-thiazole-4-carboxylate (CAS: 786654-97-5), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to prevent inhalation exposure. Spills should be cleaned up using appropriate absorbents, and disposal should follow local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.