CAS 199102-70-0: 4-(1-Methylethyl)-β-oxobenzenepropanenitrile

Description: 4-(1-Methylethyl)-β-oxobenzenepropanenitrile, also known by its CAS number 199102-70-0, is a chemical compound that features a complex structure characterized by a benzene ring substituted with a β-oxoketone and a nitrile group. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its reactivity and potential applications in organic synthesis. The presence of the nitrile group suggests that it may participate in nucleophilic reactions, while the β-oxoketone moiety can engage in various chemical transformations, including condensation and cyclization reactions. The isopropyl group (1-methylethyl) adds steric hindrance, which can influence the compound's reactivity and interaction with other molecules. Overall, this compound may be of interest in pharmaceutical chemistry and materials science due to its unique structural features and potential biological activity. However, specific physical properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.

Formula: C₁₂H₁₃NO

InChI: InChI=1S/C12H13NO/c1-9(2)10-3-5-11(6-4-10)12(14)7-8-13/h3-6,9H,7H2,1-2H3

InChI key: InChIKey=WHPGQMYJLCNLLE-UHFFFAOYSA-N

SMILES: N#CCC(=O)C1=CC=C(C=C1)C(C)C

Synonyms:

• 3-(4-Isopropylphenyl)-3-oxopropanenitrile
• 3-Oxo-3-[4-(propan-2-yl)phenyl]propanenitrile
• 4-(1-Methylethyl)-β-oxobenzenepropanenitrile
• Benzenepropanenitrile, 4-(1-methylethyl)-β-oxo-

3-(4-Isopropylphenyl)-3-oxopropanenitrile

CAS: 199102-70-0

• Purity: 97%
• Molecular weight: 187.24200439453125

3-Oxo-3-[4-(propan-2-yl)phenyl]propanenitrile

CAS: 199102-70-0

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• Formula: C₁₂H₁₃NO
• Purity: Min. 95%
• Molecular weight: 187.24 g/mol