CAS 39815-78-6

Heptanoic acid, 3-oxo-, methyl ester

Description:

Heptanoic acid, 3-oxo-, methyl ester, also known as methyl 3-oxoheptanoate, is an organic compound characterized by its ester functional group and a ketone group located at the third carbon of a heptanoic acid chain. This compound typically appears as a colorless to pale yellow liquid with a fruity odor, indicative of its ester nature. It is soluble in organic solvents and exhibits limited solubility in water due to its hydrophobic heptane chain. The presence of the ketone group contributes to its reactivity, making it a potential intermediate in organic synthesis and a useful building block in the production of various chemicals, including pharmaceuticals and agrochemicals. Heptanoic acid derivatives are often studied for their potential applications in flavoring and fragrance industries. As with many organic compounds, safety precautions should be taken when handling this substance, as it may pose health risks if ingested or inhaled. Proper storage conditions are also essential to maintain its stability and prevent degradation.

Formula: C₈H₁₄O₃

InChI: InChI=1S/C8H14O3/c1-3-4-5-7(9)6-8(10)11-2/h3-6H2,1-2H3

InChI key: InChIKey=CZTKGERSDUGZPQ-UHFFFAOYSA-N

SMILES: C(CC(OC)=O)(CCCC)=O

Synonyms:

• 3-Oxoheptanoic acid methyl ester
• Heptanoic acid, 3-oxo-, methyl ester
• Methyl pentanoylacetate
• Methyl 3-oxoheptanoate
• Methyl 3-Oxoheptanoate

Methyl 3-Oxoheptanoate

CAS: 39815-78-6

Formula: C₈H₁₄O₃

Purity: >95.0%(GC)

Color and Shape: Colorless to Almost colorless clear liquid

Molecular weight: 158.20

Ref: 3B-O0246

Heptanoic acid, 3-oxo-, methyl ester

CAS: 39815-78-6

Formula: C₇H₁₄O₃

Purity: 95%

Color and Shape: Liquid

Molecular weight: 146.1843

Ref: IN-DA00I7TB

Methyl 3-Oxoheptanoate

CAS: 39815-78-6

Methyl 3-Oxoheptanoate

Purity: 98%

Molecular weight: 158.19g/mol

Ref: 54-OR1013823

Methyl 3-oxoheptanoate

CAS: 39815-78-6

Formula: C₈H₁₄O₃

Purity: 95%

Color and Shape: Liquid

Molecular weight: 158.197

Ref: 10-F046871

Methyl 3-Oxoheptanoate

Controlled Product

CAS: 39815-78-6

Applications Methyl 3-oxoheptanoate is used as a reagent to synthesize 4-oxymethyl-1,2-dioxanes, compounds that exhibit potent anti-malarial activity. Methyl 3-oxoheptanoate is also used as a reagent to prepare a series of substituted cyclopenta-[d]-pyrimidines, compounds that act as anti-microtubule (anticancer) agents.
References Chianese, G., et al.: J. Med. Chem., 54, 8526 (2011); Gangjee, A., et al.: J. Med. Chem., 56, 6829 (2013); Persico, M., et al.: Eur. J. Med. Chem., 70, 875 (2013)

Formula: C₈H₁₄O₃

Color and Shape: Neat

Molecular weight: 158.19

Ref: TR-M324730

Methyl 3-Oxoheptanoate

CAS: 39815-78-6

Methyl 3-Oxoheptanoate is a synthetic compound with anti-cancer properties. It has been shown to inhibit the growth of neuroblastomas and other cancer cells. Methyl 3-Oxoheptanoate is a fluorescent compound that can be used as an affinity label in immunohistochemistry experiments. This molecule has also been shown to have an affinity for the atrial natriuretic peptide receptor, which may be responsible for its fibrillation inhibition activity. Methyl 3-Oxoheptanoate is synthesized by irradiation of a mixture of methyl octanoate and hexanal with UV light in the presence of oxygen.
Methyl 3-Oxoheptanoate was first reported by Friedel and Crafts in 1877, although this reaction is not catalyzed by methyl 3-oxoheptanoate itself.

Formula: C₈H₁₄O₃

Purity: Min. 95%

Molecular weight: 158.2 g/mol

Ref: 3D-PBA81578