Ethyl 5-methyl-1,2-oxazole-3-carboxylate

Basic Information

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CAS Number

3209-72-1

Molecular Formula

C7H9NO3

Molecular Weight

155.15 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

27-31 °C

Boiling Point

246 ºC

Water Solubility

It is insoluble in water.

Refractive Index

1.468

SMILES

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CCOC(=O)C1=NOC(=C1)C

InChI

InChI=1S/C7H9NO3/c1-3-10-7(9)6-4-5(2)11-8-6/h4H,3H2,1-2H3

InChIKey

OCCIGHIQVMLYBZ-UHFFFAOYSA-N

LogP

1.15972

Topological Polar Surface Area

52.33 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

149

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3209-72-1
AS-5027
Ethyl 5-methylisoxazol-3-carboxylate
SCHEMBL434805
EINECS 221-720-3
BB 0258841
AKOS003672832
OCCIGHIQVMLYBZ-UHFFFAOYSA-N
7BQ2R2LV8R
FT-0626133
5-methylisoxazole-3-carboxylate ethyl
A5776
F14097
Ethyl 5-methylisoxazole-3-carboxylate
3-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-, ETHYL ESTER
5-Methyl-isoxazole-3-carboxylic acid ethyl ester
J-521148
Ethyl 5-methylisoxazole-3-carboxylate, 95%
J-018631
SY061617
Ethyl5-methylisoxazole-3-carboxylate
AMY21973
ethyl 5-methyl-3-isoxazolecarboxylate
NS00029213
MFCD00085080
DTXSID60185887
STR09384
ethyl 5-methyl-1,2-oxazole-3-carboxylate
5-Methyl-isoxazol-3-carbonsaeure-aethylester
5-Methylisoxazole-3-carboxylic acid ethyl ester
ethyl 5-methyl-3-isoxazole carboxylate

MDL Number

MFCD00085080

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Ethyl 5-methyl-1,2-oxazole-3-carboxylate (CAS: 3209-72-1)?

Ethyl 5-methyl-1,2-oxazole-3-carboxylate (CAS: 3209-72-1) is a white crystalline solid with a molecular weight of 164.21 g/mol. It is slightly soluble in water but soluble in common organic solvents like ethanol and acetone. Chemically, it is moderately reactive and can undergo esterification and nucleophilic substitution reactions.

How is Ethyl 5-methyl-1,2-oxazole-3-carboxylate (CAS: 3209-72-1) typically synthesized?

Ethyl 5-methyl-1,2-oxazole-3-carboxylate (CAS: 3209-72-1) is typically synthesized by the reaction of methyl oxalyl chloride with ethylamine followed by the addition of ethyl acetoacetate. This process requires careful control of pH and temperature to ensure high yield and selectivity.

What industries use Ethyl 5-methyl-1,2-oxazole-3-carboxylate (CAS: 3209-72-1)?

Ethyl 5-methyl-1,2-oxazole-3-carboxylate (CAS: 3209-72-1) finds applications in the pharmaceutical industry for the synthesis of various drugs, particularly those requiring oxazole derivatives. It is also used in polymer synthesis and as a precursor in semiconductor manufacturing and sensor technology.

What precautions should be taken when handling Ethyl 5-methyl-1,2-oxazole-3-carboxylate (CAS: 3209-72-1)?

When handling Ethyl 5-methyl-1,2-oxazole-3-carboxylate (CAS: 3209-72-1), it is important to use appropriate personal protective equipment (PPE) including gloves and goggles. Handle in a well-ventilated area or fume hood, as it is slightly irritating to skin and eyes. In case of spill, avoid direct contact and clean up using appropriate absorbent material. Refer to Safety Data Sheets (SDS) for detailed safety information.