CAS 677713-07-4
:2,6-Dimethyl-β-oxobenzenepropanenitrile
Description:
2,6-Dimethyl-β-oxobenzenepropanenitrile, identified by its CAS number 677713-07-4, is an organic compound characterized by its unique structure that includes a benzene ring substituted with two methyl groups and a nitrile functional group. This compound typically exhibits a solid state at room temperature and is likely to be soluble in organic solvents due to its hydrophobic nature. The presence of the nitrile group suggests potential reactivity, particularly in nucleophilic addition reactions. Additionally, the β-oxo group indicates that it may participate in various chemical transformations, such as condensation reactions or enolate formation. The compound's molecular structure contributes to its potential applications in organic synthesis, pharmaceuticals, or as an intermediate in chemical manufacturing. Safety data should be consulted for handling and storage, as compounds with nitrile groups can pose health risks if inhaled or ingested. Overall, 2,6-Dimethyl-β-oxobenzenepropanenitrile is a versatile compound with interesting chemical properties and potential applications in various fields.
Formula:C11H11NO
InChI:InChI=1S/C11H11NO/c1-8-4-3-5-9(2)11(8)10(13)6-7-12/h3-5H,6H2,1-2H3
InChI key:InChIKey=ZRGDABNLAQETGR-UHFFFAOYSA-N
SMILES:C(CC#N)(=O)C1=C(C)C=CC=C1C
Synonyms:- 2,6-Dimethyl-β-oxobenzenepropanenitrile
- 2,6-Dimethylbenzoylacetonitrile
- 3-(2,6-Dimethylphenyl)-3-oxopropanenitrile
- 3-(2,6-Dimethylphenyl)-3-oxopropionitrile
- Benzenepropanenitrile, 2,6-Dimethyl-Β-Oxo-
- 2,6-DIMETHYL-BETA-OXO-BENZENEPROPANENITRILE
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