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CAS 6140-61-0

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4,4-Dimethyl-5-oxopentanenitrile

Description:
4,4-Dimethyl-5-oxopentanenitrile, with the CAS number 6140-61-0, is an organic compound characterized by its nitrile functional group and a ketone moiety. It features a five-carbon chain with two methyl groups attached to the fourth carbon, contributing to its branched structure. The presence of the oxo group (a carbonyl group) at the fifth position enhances its reactivity, making it a potential intermediate in organic synthesis. This compound is typically a colorless to pale yellow liquid or solid, depending on the temperature and purity. It is soluble in organic solvents, which makes it useful in various chemical reactions, including nucleophilic additions and condensation reactions. Due to its structural features, 4,4-Dimethyl-5-oxopentanenitrile may exhibit interesting biological activities and could be explored for applications in pharmaceuticals or agrochemicals. However, as with many nitriles, it should be handled with care due to potential toxicity and environmental concerns. Proper safety measures should be observed when working with this compound in laboratory settings.
Formula:C7H11NO
InChI:InChI=1S/C7H11NO/c1-7(2,6-9)4-3-5-8/h6H,3-4H2,1-2H3
InChI key:InChIKey=HKJVKIURQSVEQB-UHFFFAOYSA-N
SMILES:C(CCC#N)(C=O)(C)C
Synonyms:
  • 4,4-Dimethyl-5-Oxopentanenitrile
  • 4-Cyano-2,2-dimethylbutanal
  • 4-Cyano-2,2-dimethylbutyraldehyde
  • Butyraldehyde, 4-cyano-2,2-dimethyl-
  • Glutaraldehydonitrile, 4,4-dimethyl-
  • NSC 14675
  • NSC 33063
  • Pentanenitrile, 4,4-dimethyl-5-oxo-
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