Methyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate

Basic Information

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CAS Number

81569-46-2

Molecular Formula

C7H8BrNO2S

Molecular Weight

250.12 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

Boiling Point

312.6℃ at 760 mmHg

Density

1.572

SMILES

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CCc1sc(Br)nc1C(=O)OC

InChI

InChI=1S/C7H8BrNO2S/c1-3-4-5(6(10)11-2)9-7(8)12-4/h3H2,1-2H3

InChIKey

YVZQQKSGEFCXLI-UHFFFAOYSA-N

LogP

2.2546

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Synonyms & References

English

Methyl 2-bromo-5-ethylthiazole-4-carboxylate
Methyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate
2-Bromo-5-ethyl-4-thiazolecarboxylic acid methyl ester

MDL Number

MFCD11706992

Customs Code

2934100090

FAQ

What are the physical and chemical properties of Methyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate (CAS: 81569-46-2)?

Methyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate (CAS: 81569-46-2) is a crystalline solid with a molecular weight of approximately 255.03 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and acetone. The compound exhibits moderate reactivity, particularly towards nucleophiles and thiols. It decomposes above 180°C.

How is Methyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate (CAS: 81569-46-2) typically synthesized?

Methyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate (CAS: 81569-46-2) is synthesized by the reaction of methyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate with bromine followed by workup. The reaction is catalyzed by a suitable base, and the product is isolated by recrystallization. The yield is typically 75-80%.

What industries use Methyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate (CAS: 81569-46-2)?

Methyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate (CAS: 81569-46-2) is used primarily in the pharmaceutical industry for the synthesis of various biologically active compounds. It is also used in the production of certain types of polymers and as a precursor in the development of sensors and semiconductors.

What precautions should be taken when handling Methyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate (CAS: 81569-46-2)?

When handling Methyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate (CAS: 81569-46-2), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly washed with water. Always refer to the Safety Data Sheet (SDS) for detailed safety information.