Cas no 36646-78-3 (5,5-Dimethyl-3-(4-methylphenyl)aminocyclohex-2-en-1-one)

5,5-Dimethyl-3-(4-methylphenyl)aminocyclohex-2-en-1-one is a cyclohexenone derivative featuring a substituted aromatic amine group. This compound is of interest in synthetic organic chemistry due to its structural motif, which may serve as a key intermediate in the preparation of more complex molecules. The presence of both electron-donating and sterically hindered groups influences its reactivity, making it suitable for selective transformations. Its stable cyclohexenone core allows for further functionalization, while the dimethyl substitution enhances steric control in subsequent reactions. This compound may find applications in pharmaceuticals, agrochemicals, or materials science, where tailored molecular architectures are required.
5,5-Dimethyl-3-(4-methylphenyl)aminocyclohex-2-en-1-one structure
36646-78-3 structure
Product Name:5,5-Dimethyl-3-(4-methylphenyl)aminocyclohex-2-en-1-one
CAS No:36646-78-3
MF:C15H19NO
MW:229.317464113235
CID:1477879
PubChem ID:744716
Update Time:2025-05-28

5,5-Dimethyl-3-(4-methylphenyl)aminocyclohex-2-en-1-one Chemical and Physical Properties

Names and Identifiers

    • 2-Cyclohexen-1-one, 5,5-dimethyl-3-[(4-methylphenyl)amino]-
    • 5,5-dimethyl-3-(4-methylanilino)cyclohex-2-en-1-one
    • 5,5-Dimethyl-3-(p-tolylamino)cyclohex-2-enone
    • STK541888
    • Z57082356
    • 5,5-dimethyl-3-[(4-methylphenyl)amino]cyclohex-2-en-1-one
    • AKOS005471610
    • AKOS001152121
    • ALBB-013647
    • SR-01000479705-1
    • 5,5-Dimethyl-3-[(4-methylphenyl)amino]-cyclohex-2-en-1-one
    • DTXSID60353544
    • (3E)-5,5-dimethyl-3-[(4-methylphenyl)imino]cyclohex-1-en-1-ol
    • 3-(p-tolylamino)-5,5-dimethylcyclohex-2-enone
    • 2-cyclohexen-1-one, 5,5-dimethyl-3-[(4-methylphenyl)amino]
    • MFCD00128470
    • 36646-78-3
    • STK006224
    • LS-04275
    • 5,5-Dimethyl-3-(p-tolylamino)cyclohex-2-en-1-one
    • CS-0281378
    • SR-01000479705
    • 5,5-Dimethyl-3-(4-methylphenyl)aminocyclohex-2-en-1-one
    • Inchi: 1S/C15H19NO/c1-11-4-6-12(7-5-11)16-13-8-14(17)10-15(2,3)9-13/h4-8,16H,9-10H2,1-3H3
    • InChI Key: AUTYGHSAKXEUSV-UHFFFAOYSA-N
    • SMILES: O=C1C=C(CC(C)(C)C1)NC1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 229.14677
  • Monoisotopic Mass: 229.146664230g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 322
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 29.1?2

Experimental Properties

  • PSA: 29.1

5,5-Dimethyl-3-(4-methylphenyl)aminocyclohex-2-en-1-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D265590-100mg
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Crysdot LLC
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