Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate

Basic Information

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CAS Number

7238-62-2

Molecular Formula

C7H8ClNO2S

Molecular Weight

205.67 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

Melting Point

51 ºC

Boiling Point

116 ºC

Density

1.328±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

130.4±25.1 ºC,

SMILES

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CCOC(=O)C1=C(N=C(S1)Cl)C

InChI

InChI=1S/C7H8ClNO2S/c1-3-11-6(10)5-4(2)9-7(8)12-5/h3H2,1-2H3

InChIKey

VUARUZUFHDNJSY-UHFFFAOYSA-N

LogP

2.28162

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

179

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

A866272
SY104096
5-Thiazolecarboxylic acid, 2-chloro-4-methyl-, ethyl ester
SCHEMBL187316
CCG-131480
ethyl 2-chloro-4-methylthiazole-5-carboxylate
Ethyl2-chloro-4-methylthiazole-5-carboxylate
A1-24370
AB12784
Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate
DTXSID70344185
ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate, AldrichCPR
ETHYL 2-CHLORO-4-METHYL-5-THIAZOLECARBOXYLATE
Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate #
7238-62-2
AKOS001787096
FT-0751147
CHEBI:194772
CS-W006589
TS-02942
MFCD02956798
AMY41349
Ethyl 2-chloro-4-methylthiazole-5-carboxylate
5-Thiazolecarboxylicacid, 2-chloro-4-methyl-, ethyl ester
ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate
2-Chloro-4-methyl-5-ethoxycarbonylthiazole
C7H8ClNO2S
VUARUZUFHDNJSY-UHFFFAOYSA-N
STK801772
SBB093549
BBL010831

MDL Number

MFCD02956798

Customs Code

2934100090

FAQ

What are the physical and chemical properties of Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate (CAS: 7238-62-2)?

Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate (CAS: 7238-62-2) is a crystalline compound with a molecular weight of approximately 222.05 g/mol. It has a solubility of 1.1 g/L in water and is slightly soluble in organic solvents. This compound is known for its reactivity, particularly in nucleophilic substitution reactions. It exhibits good stability under normal conditions but reacts readily with strong bases.

How is Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate (CAS: 7238-62-2) typically synthesized?

Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate (CAS: 7238-62-2) is typically synthesized using a two-step process. In the first step, 2-chloro-4-methyl-1,3-thiazole reacts with ethyl acetoacetate in the presence of a base like sodium hydride to form the thiazole-5-carboxylic acid. In the second step, this acid is esterified with ethyl alcohol to yield the final compound. This process requires careful control of temperature and reaction conditions to ensure high yield and selectivity.

What industries use Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate (CAS: 7238-62-2)?

Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate (CAS: 7238-62-2) is primarily used in the pharmaceutical industry for the synthesis of various drugs, particularly those targeting metabolic and inflammatory diseases. It is also used in the polymer industry as a monomer for the production of functional polymers. Additionally, it has applications in the sensor and semiconductor industries due to its unique chemical properties.

What precautions should be taken when handling Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate (CAS: 7238-62-2)?

When handling Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate (CAS: 7238-62-2), it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to vapors. Spills should be cleaned up using appropriate materials and procedures, and the Material Safety Data Sheet (MSDS) should be consulted for specific handling guidelines. This compound may require storage under specific conditions to maintain its stability.