CAS 41892-81-3

Pentanoic acid, 2-acetyl-4-oxo-, ethyl ester

Description:

Pentanoic acid, 2-acetyl-4-oxo-, ethyl ester, also known by its CAS number 41892-81-3, is an organic compound characterized by its ester functional group, which is derived from pentanoic acid and an acetyl group. This compound typically exhibits a moderate boiling point and is likely to be a colorless to pale yellow liquid at room temperature. It is soluble in organic solvents, reflecting its ester nature, while its solubility in water may be limited due to the hydrophobic pentanoic acid chain. The presence of the acetyl and keto groups contributes to its reactivity, making it a potential candidate for various chemical reactions, including condensation and acylation. Additionally, this compound may possess a characteristic odor, often associated with esters, which can be fruity or sweet. Its applications may span across fields such as flavoring, fragrance, and potentially in pharmaceuticals, although specific uses would depend on further research into its properties and safety profile.

Formula: C₉H₁₄O₄

InChI: InChI=1/C9H14O4/c1-4-13-9(12)8(7(3)11)5-6(2)10/h8H,4-5H2,1-3H3

InChI key: InChIKey=WANUOLLLVOSMFL-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)(CC(C)=O)C(C)=O

Synonyms:

• 2-Acetyl-4-oxo-pentanoic acid ethyl ester
• Ethyl 2,5-dioxohexane-3-carboxylate
• Ethyl 2-acetonylacetoacetate
• Ethyl 2-acetyl-4-oxovalerate
• Levulinic acid, 2-acetyl-, ethyl ester
• Pentanoic acid, 2-acetyl-4-oxo-, ethyl ester
• Ethyl 2-acetyl-4-oxopentanoate

ETHYL 2-ACETYL-4-OXOPENTANOATE

CAS: 41892-81-3

Formula: C₉H₁₄O₄

Purity: 97%

Color and Shape: Liquid

Molecular weight: 186.2051

Ref: IN-DA00BYRV

Ethyl 2-acetyl-4-oxopentanoate

CAS: 41892-81-3

Ethyl 2-acetyl-4-oxopentanoate

Purity: ≥95%

Color and Shape: Liquid

Molecular weight: 186.21g/mol

Ref: 54-OR29456

Ethyl 2-acetyl-4-oxopentanoate

CAS: 41892-81-3

Purity: 97%

Molecular weight: 186.2070007

Ref: 10-F607006

Ethyl 2-acetyl-4-oxopentanoate

CAS: 41892-81-3

Ethyl 2-acetyl-4-oxopentanoate is a modification of the molecule pentanoic acid. It is a functional molecule that can be modified by substitutions and modifications. The pharmacokinetic properties of this compound have been studied in rats, which showed that it has a high absorption rate when administered orally. Pharmacokinetic studies also revealed that ethyl 2-acetyl-4-oxopentanoate is metabolized to carboxyethyl 2-acetyl-4-oxopentanoate and pyridazine ethyl 2-acetyl-4-oxopentanoate, which are both neuropathic pain drugs with similar pharmacodynamics. This drug has shown promise as a lead compound for the treatment of neuropathic pain due to its α2δ subunit binding activity.

Formula: C₉H₁₄O₄

Purity: Min. 95%

Molecular weight: 186.21 g/mol

Ref: 3D-RBA89281