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3-(Phenylamino)cyclohex-2-en-1-one

  • CAS No. 24706-50-1

  • Cat. No. CS-0316310
  • Purity95+%
  • MDL No.None

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

3-(Phenylamino)cyclohex-2-en-1-one|CS-0316310

Structure of 24706-50-1

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General Information

  • CAS No. 24706-50-1
  • Cat. No. CS-0316310
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃NO
  • Molecular Weight 187.24
  • Synonym(s) 2-Cyclohexen-1-one, 3-(phenylamino)-
  • SMILES C1=CC=C(C=C1)NC2=CC(=O)CCC2

Synthesis

  • Route1

    References

    • Epifano, Francesco; Genovese, Salvatore; Curini, Massimo Tetrahedron Letters, 2007 , vol. 48, # 15 p. 2717 - 2720
  • Route2

    References

    • Merck and Co., Inc. Patent: EP214009 A3, 1989 ;
  • Route3

    References

    • Zhuo, Jin-Cong Magnetic Resonance in Chemistry, 1997 , vol. 35, # 5 p. 311 - 322

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   2.7354
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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