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CAS 29509-04-4

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2,4,4-Trimethyl-3-oxopentanenitrile

Description:
2,4,4-Trimethyl-3-oxopentanenitrile, with the CAS number 29509-04-4, is an organic compound characterized by its nitrile functional group and a ketone moiety. This compound features a five-carbon chain with three methyl groups attached to the second and fourth carbons, contributing to its branched structure. The presence of the oxo group (a carbonyl group) at the third position indicates that it is a ketone, while the nitrile group (-C≡N) at the end of the chain adds to its reactivity and potential applications in organic synthesis. Typically, compounds like this may exhibit moderate polarity due to the presence of the nitrile and carbonyl groups, influencing their solubility in various solvents. Additionally, the branched structure can affect the compound's boiling point and melting point compared to its straight-chain counterparts. This substance may be utilized in various chemical reactions, including nucleophilic additions and as an intermediate in the synthesis of more complex organic molecules. Safety data should be consulted for handling and storage, as with all chemical substances.
Formula:C8H13NO
InChI:InChI=1S/C8H13NO/c1-6(5-9)7(10)8(2,3)4/h6H,1-4H3
InChI key:InChIKey=YZYCNKBQLMRDMT-UHFFFAOYSA-N
SMILES:C(C(C)(C)C)(C(C#N)C)=O
Synonyms:
  • 2,4,4-Trimethyl-3-Oxopentanenitrile
  • 2-Cyano-4,4-dimethyl-3-pentanone
  • Pentanenitrile, 2,4,4-trimethyl-3-oxo-
  • Valeronitrile, 2,4,4-trimethyl-3-oxo-
  • 2,4,4-Trimethyl-3-oxovaleronitrile
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