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CS-W001157 4
Total: USD 88.00

4-Oxo-1-(p-tolyl)cyclohexane-1-carbonitrile

  • CAS No. 65619-01-4

  • Cat. No. CS-0331468
  • Purity≥95%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

4-Oxo-1-(p-tolyl)cyclohexane-1-carbonitrile|CS-0331468

Structure of 65619-01-4

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General Information

  • CAS No. 65619-01-4
  • Cat. No. CS-0331468
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₅NO
  • Molecular Weight 213.28
  • Synonym(s) 4-oxo-1-p-tolylcyclohexanecarbonitrile
  • SMILES CC1=CC=C(C=C1)C2(CCC(=O)CC2)C#N

Synthesis

  • Route1
    • null|null
      56326-94-4
    • ~76%
    • 4-Oxo-1-(p-tolyl)cyclohexane-1-carbonitrile|CS-0331468
      65619-01-4

    References

    • The Upjohn Company Patent: US4065573 A1, 1977 ;
  • Route2
    • null|null
      65619-00-3
    • ~72%
    • 4-Oxo-1-(p-tolyl)cyclohexane-1-carbonitrile|CS-0331468
      65619-01-4

    References

    • Lednicer, Daniel; VonVoigtlander, Philip F.; Emmert, D. Edward Journal of Medicinal Chemistry, 1980 , vol. 23, # 4 p. 424 - 430
  • Route3

    References

    • Upjohn Patent: DE2723937 , 1977 ; Chem.Abstr., 1978 , vol. 88, # 104776

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   2.8995
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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