CAS 76014-80-7

γ-Oxo-3-pyridinebutanal

Description:

γ-Oxo-3-pyridinebutanal, with the CAS number 76014-80-7, is an organic compound characterized by its pyridine ring and an aldehyde functional group. This compound features a five-membered carbon chain with a ketone group adjacent to the pyridine, which contributes to its reactivity and potential applications in organic synthesis. The presence of the pyridine moiety imparts basic properties, allowing it to participate in various chemical reactions, such as nucleophilic additions and condensation reactions. γ-Oxo-3-pyridinebutanal is typically a colorless to pale yellow liquid or solid, depending on its purity and form. It is soluble in polar organic solvents, which enhances its utility in chemical reactions and formulations. This compound may be of interest in medicinal chemistry and the development of pharmaceuticals due to its structural features that can influence biological activity. As with many organic compounds, safety precautions should be observed when handling γ-Oxo-3-pyridinebutanal, including the use of appropriate personal protective equipment and adherence to safety data sheet guidelines.

Formula: C₉H₉NO₂

InChI: InChI=1S/C9H9NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5-7H,2,4H2

InChI key: InChIKey=CFONOJVUTZAMCB-UHFFFAOYSA-N

SMILES: C(CCC=O)(=O)C=1C=CC=NC1

Synonyms:

• 3-Pyridinebutanal, γ-oxo-
• γ-Oxo-3-pyridinebutanal
• 4-Oxo-4-(3-pyridyl)butanal
• 4-Oxo-1-(3-pyridyl)-1-butanone

4-Oxo-4-(3-pyridyl)butanal

CAS: 76014-80-7

Applications A metabolite of the tobacco-specific nitrosamine, NNK (Cat. #M32575). This compound is unstable and cannot be stored for more than six months.
References Hecht, S.S., et al.: Cancer Res., 40, 4144 (1980); Kutzer, C., et al.: J. Chromatog. Sci., 35, 1 (1997)

Formula: C₉H₉NO₂

Color and Shape: Neat

Molecular weight: 163.17

Ref: TR-O859250

4-Oxo-4-(3-pyridyl)butanal

CAS: 76014-80-7

4-Oxo-4-(3-pyridyl)butanal is a reactive compound that is used for genetic analyses and chemical inhibition. 4-Oxo-4-(3-pyridyl)butanal has been shown to be a potential carcinogen in rats, causing liver tumors. This compound reacts with the hydroxy group of DNA, which may cause mutations and lead to cancer. 4-Oxo-4-(3-pyridyl)butanal has also been shown to inhibit ovary cell growth. It is hydrophobic and binds to DNA by hydrogen bonding, which inhibits transcription of genes.

Formula: C₉H₉NO₂

Purity: Min. 95%

Color and Shape: Clear Liquid

Molecular weight: 163.17 g/mol

Ref: 3D-FO26683