CAS 1965309-04-9: 1,1-Dimethylethyl β-oxo-2-oxazolepropanoate

Description: 1,1-Dimethylethyl β-oxo-2-oxazolepropanoate is a chemical compound characterized by its unique structure, which includes a β-oxo group and an oxazole ring. This compound typically exhibits properties associated with both ester and oxazole functionalities, contributing to its potential reactivity and applications in organic synthesis. It is likely to be a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. The presence of the dimethyl group can influence its steric hindrance and solubility in various solvents. As an ester, it may participate in nucleophilic acyl substitution reactions, while the oxazole moiety can engage in various chemical transformations, including cycloadditions and electrophilic substitutions. The compound's CAS number, 1965309-04-9, indicates its unique identification in chemical databases, facilitating research and regulatory considerations. Overall, 1,1-Dimethylethyl β-oxo-2-oxazolepropanoate is of interest in fields such as medicinal chemistry and materials science due to its potential utility in synthesizing more complex molecules.

Formula: C₁₀H₁₃NO₄

InChI: InChI=1S/C10H13NO4/c1-10(2,3)15-8(13)6-7(12)9-11-4-5-14-9/h4-5H,6H2,1-3H3

InChI key: InChIKey=NPTCTXMAXZZKRE-UHFFFAOYSA-N

SMILES: O=C(OC(C)(C)C)CC(=O)C1=NC=CO1

Synonyms:

• 1,1-Dimethylethyl β-oxo-2-oxazolepropanoate
• 2-Oxazolepropanoic acid, β-oxo-, 1,1-dimethylethyl ester

3-Oxazol-2-yl-3-oxo-propionic acid tert-butyl ester

CAS: 1965309-04-9

• Purity: 96%
• Molecular weight: 211.2169952392578

3-Oxazol-2-yl-3-oxo-propionic acid tert-butyl ester

CAS: 1965309-04-9

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• Formula: C₁₀H₁₃NO₄
• Purity: Min. 95%
• Molecular weight: 211.21 g/mol