tert-Butyl Oxobutyrate - CAS 1694-31-1

tert-Butyl oxobutyrate(CAT: R022427) is a chemical compound characterized by the presence of a tert-butyl group and an oxobutyrate moiety. Its mode of action and pharmacological effects may involve its participation in various chemical reactions and interactions due to its functional groups. While specific pharmacologic actions and applications for this compound are not widely documented, its chemical structure suggests potential use as a building block in organic synthesis, particularly in the creation of more complex molecules. Research and exploration of its reactivity and applications in synthetic chemistry may uncover its role in producing valuable intermediates or compounds for pharmaceuticals, agrochemicals, or other industries.

Catalog Number: R022427

CAS Number: 1694-31-1

PubChem Substance ID:355428790

Molecular Formula: C8H14O3

Molecular Weight:158.197

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

• Synonyms: tert-Butyl Ester Acetoacetic Acid; 1,1-Dimethylethyl Acetoacetate; 3-Oxobutanoic Acid 1,1-dimethylethyl Ester; 3-Oxobutyric Acid tert-Butyl Ester; NSC 42869; tert-Butyl 3-Oxobutanoate; tert-Butyl 3-Oxobutyrate; tert-Butyl Acetoacetate; tert-Butyl Ace

Property

• Molecular Formula: C8H14O3
• Molecular Weight: 158.197
• Purity: ≥95%
• Storage: -20°C

Computed Descriptor

• IUPAC Name: tert-butyl 3-oxobutanoate
• InChI: InChI=1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3
• InChIKey: JKUYRAMKJLMYLO-UHFFFAOYSA-N
• SMILES: CC(=O)CC(=O)OC(C)(C)C