CAS 133674-44-9

3-Ethyl 3,5-isoxazoledicarboxylate

Description:

3-Ethyl 3,5-isoxazoledicarboxylate is a chemical compound characterized by its isoxazole ring structure, which features a five-membered heterocyclic ring containing both nitrogen and oxygen atoms. This compound typically exhibits properties associated with esters, including volatility and solubility in organic solvents. The presence of two carboxylate groups contributes to its potential reactivity, making it useful in various synthetic applications, particularly in the field of organic chemistry. The ethyl group enhances its hydrophobic character, influencing its solubility and interaction with other molecules. Additionally, the isoxazole moiety can participate in various chemical reactions, such as nucleophilic substitutions and cycloadditions, making it a versatile intermediate in the synthesis of pharmaceuticals and agrochemicals. Its unique structure and functional groups may also impart specific biological activities, warranting further investigation for potential applications in medicinal chemistry. As with many chemical substances, safety data and handling precautions should be observed due to potential toxicity or reactivity.

Formula: C₇H₇NO₅

InChI: InChI=1S/C7H7NO5/c1-2-12-7(11)4-3-5(6(9)10)13-8-4/h3H,2H2,1H3,(H,9,10)

InChI key: InChIKey=YICMWFKVBQBQDL-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1C=C(C(O)=O)ON1

Synonyms:

• 3,5-Isoxazoledicarboxylic acid, 3-ethyl ester
• 3-Ethyl 3,5-isoxazoledicarboxylate
• 3-(Ethoxycarbonyl)isoxazole-5-carboxylic acid

3-(Ethoxycarbonyl)-1,2-oxazole-5-carboxylic acid

CAS: 133674-44-9

Versatile small molecule scaffold

Formula: C₇H₇NO₅

Purity: Min. 95%

Molecular weight: 185.13 g/mol

Ref: 3D-IFA67444