CAS 7149-59-9

Hexanedioic acid, 3-oxo-, 1,6-diethyl ester

Description:

Hexanedioic acid, 3-oxo-, 1,6-diethyl ester, also known by its CAS number 7149-59-9, is an organic compound characterized by its diester structure derived from hexanedioic acid. This compound features two ethyl ester groups attached to the hexanedioic acid backbone, which contributes to its solubility in organic solvents and its potential use in various chemical applications. The presence of a keto group at the 3-position enhances its reactivity, making it a useful intermediate in organic synthesis. Typically, it appears as a colorless to pale yellow liquid or solid, depending on the specific conditions. Its molecular structure allows for a range of functionalization, making it valuable in the production of polymers, pharmaceuticals, and agrochemicals. Additionally, it may exhibit moderate toxicity, necessitating careful handling and storage. Overall, hexanedioic acid, 3-oxo-, 1,6-diethyl ester is a versatile compound with significant implications in synthetic organic chemistry.

Formula: C₁₀H₁₆O₅

InChI: InChI=1S/C10H16O5/c1-3-14-9(12)6-5-8(11)7-10(13)15-4-2/h3-7H2,1-2H3

InChI key: InChIKey=ONRIYMIXCUUSNS-UHFFFAOYSA-N

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

Synonyms:

• 1,6-Diethyl 3-oxohexanedioate
• 3-Oxoadipic acid diethyl ester
• 3-Oxohexanedioic acid diethyl ester
• Diethyl 3-Oxohexanedioate
• Diethyl 3-oxoadipate
• Diethyl 4-oxohexanedioate
• Diethyl β-oxoadipate
• Hexanedioic acid, 3-oxo-, 1,6-diethyl ester
• Hexanedioic acid, 3-oxo-, diethyl ester
• NSC 72263

Diethyl 3-oxohexanedioate

CAS: 7149-59-9

Formula: C₁₀H₁₆O₅

Purity: 95%

Color and Shape: Liquid

Molecular weight: 216.2310

Ref: IN-DA005HP7

Diethyl 3-oxohexanedioate

CAS: 7149-59-9

Diethyl 3-oxohexanedioate

Purity: 95%

Ref: 54-OR1038917

Diethyl 3-oxohexanedioate

CAS: 7149-59-9

Purity: 95%

Molecular weight: 216.2330017

Ref: 10-F729396

3-Oxohexanedioic Acid Diethyl Ester

Controlled Product

CAS: 7149-59-9

Applications 3-Oxohexanedioic Acid Diethyl Ester is an intermediate used to prepare CMPF (C595000) which is a drug-binding inhibitor which is also a constituent of urine. CMPF can inhibit specific T4 binding in serum by increasing the free concentration of direct competitors.
References Mabuchi, H., Nakahashi, H.: Nephron, 44, 277 (1986); Lim, C.F., et. al.: Metabolism Clin. Exp., 42, 1468 (1993)

Formula: C₁₀H₁₆O₅

Purity: >80%

Color and Shape: Neat

Molecular weight: 216.23

Ref: TR-O856830