ChemicalBook--->CAS DataBase List--->3209-70-9

3209-70-9

3209-70-9 Structure

3209-70-9 Structure
IdentificationBack Directory
[Name]

ETHYL ISOXAZOLE-3-CARBOXYLATE
[CAS]

3209-70-9
[Synonyms]

AKOS PAO-1389
4-CHLOROISOINDOLINE HCL
3-Ethoxycarbonylisoxazole
Ethyl 3-isoxazolecarboxylate
Ethyl isoxazol-3-carboxylate
Ethyl isoxazole-3-carboxy...
ETHYL ISOXAZOLE-3-CARBOXYLATE
Methyl isoxazole-3-carboxylate
4-ethyl-3-isoxazolecarboxylate
ethyl 1,2-oxazole-3-carboxylate
Ethyl 5-isoxazole-3-carboxylate
4-ethyl-1,2-oxazole-3-carboxylate
3-Isoxazolecarboxylic acid ethyl ester
isoxazole-3-carboxylic acid ethyl ester
[Molecular Formula]

C6H7NO3
[MDL Number]

MFCD08234628
[MOL File]

3209-70-9.mol
[Molecular Weight]

141.12
Chemical PropertiesBack Directory
[Boiling point ]

219℃
[density ]

1.177
[Fp ]

87℃
[storage temp. ]

Sealed in dry,Store in freezer, under -20°C
[pka]

-5.43±0.50(Predicted)
[Appearance]

Colorless to light yellow Liquid
[InChI]

InChI=1S/C6H7NO3/c1-2-9-6(8)5-3-4-10-7-5/h3-4H,2H2,1H3
[InChIKey]

RKXWKTOBQOSONL-UHFFFAOYSA-N
[SMILES]

O1C=CC(C(OCC)=O)=N1
Safety DataBack Directory
[HS Code ]

2934999090
Hazard InformationBack Directory
[Uses]

Ethyl Isoxazol-3-carboxylate has been used as a reactant in the preparation of demethyl 2-amino-3-(3-carboxy-5-methyl-4-isoxazolyl)propionic acid (ACPA) which shows activity at metabotropic receptors and is a weak antagonist at the mGlu2 receptor subtype.
[Synthesis Reference(s)]

Canadian Journal of Chemistry, 48, p. 467, 1970 DOI: 10.1139/v70-075
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL ISOXAZOLE-3-CARBOXYLATE(3209-70-9)1HNMR
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