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

Basic Information

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CAS Number

20582-55-2

Molecular Formula

C7H9NO2S

Molecular Weight

171.22 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

Basic Physical Properties

Melting Point

28°C

Boiling Point

233°C

Refractive Index

1.5164

SMILES

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CCOC(=O)C1=C(N=CS1)C

InChI

InChI=1S/C7H9NO2S/c1-3-10-7(9)6-5(2)8-4-11-6/h4H,3H2,1-2H3

InChIKey

WISQBJLUORKXNY-UHFFFAOYSA-N

LogP

1.62822

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

151

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Ethyl 4-methylthiazole-5-carboxylate
Ethyl 4-methyl-1,3-thiazole-5-carboxylate
FT-0654711
5-Thiazolecarboxylic acid, 4-methyl-, ethyl ester
AKOS000672824
4-Methylthiazole-5-carboxylic acid ethyl ester
A847130
SCHEMBL31575
154203-99-3
4-methyl-5-thiazolecarboxylic acid ethylester
DTXSID00942774
A4474
Ethyl 4-methyl-1,3-thiazole-5-carboxylate #
CS-W016028
MFCD00626873
Z425641066
E1182
FT-0647810
4-Methyl-5-thiazolecarboxylic acid ethyl ester
Thiazole-5-carboxylic acid, 4-methyl-, ethyl ester
4-methyl-5-(ethoxycarbonyl)thiazole
NSC170824
AC-2611
EN300-64741
GC-0751
NSC-170824
SY032681
J-521052
20582-55-2
BB 0263177
2-Thiopheneacetic acid,3-methyl-, ethyl ester

MDL Number

MFCD00626873

Customs Code

2934100090

FAQ

What are the physical and chemical properties of Ethyl 4-methyl-1,3-thiazole-5-carboxylate (CAS: 20582-55-2)?

Ethyl 4-methyl-1,3-thiazole-5-carboxylate (CAS: 20582-55-2) is a crystalline compound with a molecular weight of approximately 196.21 g/mol. It has a low solubility in water but is soluble in common organic solvents such as ethanol and acetone. This compound is moderately reactive, particularly in ester and amide bond formations. It exhibits good chemical stability under normal conditions but may react with strong acids or bases.

How is Ethyl 4-methyl-1,3-thiazole-5-carboxylate (CAS: 20582-55-2) typically synthesized?

Ethyl 4-methyl-1,3-thiazole-5-carboxylate (CAS: 20582-55-2) is typically synthesized via the reaction of ethyl acetoacetate with methyl isothiocyanate in the presence of a base such as pyridine. The reaction yields a mixture of isomers, with the desired compound being the major product. Conditions for this reaction are mild, involving heating under reflux for several hours.

What industries use Ethyl 4-methyl-1,3-thiazole-5-carboxylate (CAS: 20582-55-2)?

Ethyl 4-methyl-1,3-thiazole-5-carboxylate (CAS: 20582-55-2) is used in various industries, primarily in the pharmaceutical sector for the synthesis of certain drugs. It also finds applications in the polymer industry as a monomer for advanced materials. Additionally, it is utilized in the development of chemical sensors and as a component in some semiconductor processes.

What precautions should be taken when handling Ethyl 4-methyl-1,3-thiazole-5-carboxylate (CAS: 20582-55-2)?

When handling Ethyl 4-methyl-1,3-thiazole-5-carboxylate (CAS: 20582-55-2), appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to minimize exposure. Spills should be managed carefully, and the material safety data sheet (MSDS) should be consulted for specific spill procedures. Inhalation of the compound is to be avoided, and it should not come into contact with skin or eyes.