CAS 1075243-57-0

2,2-Dimethyl-6-oxohexanenitrile

Description:

2,2-Dimethyl-6-oxohexanenitrile is an organic compound characterized by its nitrile functional group and a ketone moiety. It features a six-carbon chain with two methyl groups attached to the second carbon, contributing to its branched structure. The presence of the oxo group indicates that there is a carbonyl (C=O) functionality, which typically enhances the compound's reactivity, particularly in nucleophilic addition reactions. The nitrile group (–C≡N) imparts unique properties, such as increased polarity and the ability to participate in various chemical transformations, including hydrolysis to form carboxylic acids. This compound may exhibit moderate solubility in polar solvents due to the presence of the nitrile group, while its branched structure can influence its boiling point and melting point compared to linear analogs. Additionally, 2,2-Dimethyl-6-oxohexanenitrile may have applications in organic synthesis and as an intermediate in the production of pharmaceuticals or agrochemicals, although specific applications would depend on further research and development.

Formula: C₈H₁₃NO

InChI: InChI=1S/C8H13NO/c1-8(2,7-9)5-3-4-6-10/h6H,3-5H2,1-2H3

InChI key: InChIKey=CVFKOSIAQANSEY-UHFFFAOYSA-N

SMILES: C(CCCC=O)(C#N)(C)C

Synonyms:

• 2,2-Dimethyl-6-oxohexanenitrile
• Hexanenitrile, 2,2-dimethyl-6-oxo-