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CS-W001157 4
Total: USD 88.00

4-Benzylamino-cyclohexanone

  • CAS No. 142009-99-2

  • Cat. No. CS-0005457
  • Purity95+%
  • MDL No.MFCD06658335

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

4-Benzylamino-cyclohexanone|CS-0005457

Structure of 142009-99-2

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General Information

  • CAS No. 142009-99-2
  • Cat. No. CS-0005457
  • Purity 95+%
  • MDL No. MFCD06658335
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₇NO
  • Molecular Weight 203.28
  • Synonym(s) 4-Benzylaminocyclohexanone
  • SMILES O=C(CC1)CCC1NCC2=CC=CC=C2

Synthesis

  • Route1

    References

    • AMGEN INC.; BODE, Christiane, M.; CHENG, Alan, C.; CHOQUETTE, Deborah; LEWIS, Richard, T.; POTASHMAN, Michele, H.; ROMERO, Karina; STELLWAGEN, John, C.; WHITTINGTON, Douglas, A. Patent: WO2012/18668 A1, 2012 ; Location in patent: Page/Page column 164 ; WO 2012/018668 A1
  • Route2
    • N-Benzyl-1,4-dioxaspiro[4.5]decan-8-amine|CS-0270024
      131511-13-2
    • ~85%
    • 4-Benzylamino-cyclohexanone|CS-0005457
      142009-99-2

    References

    • Quirante, Josefina; Escolano, Carmen; Massot, Mireia; Bonjoch, Josep Tetrahedron, 1997 , vol. 53, # 4 p. 1391 - 1402
  • Route3
    • null|null
      162338-03-6
    • ~90%
    • 4-Benzylamino-cyclohexanone|CS-0005457
      142009-99-2

    References

    • Sasano, Yusuke; Nagasawa, Shota; Yamazaki, Mai; Shibuya, Masatoshi; Park, Jaiwook; Iwabuchi, Yoshiharu Angewandte Chemie - International Edition, 2014 , vol. 53, # 12 p. 3236 - 3240 Angew. Chem., 2014 , vol. 126, # 12 p. 3300 - 3304,5

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H300-H412
Precautionary Statements : P264-P270-P273-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   2.2879
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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