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CS-W001157 4
Total: USD 88.00

4-(Benzoyloxy)cyclohexanone

  • CAS No. 23510-95-4

  • Cat. No. CS-0196024
  • Purity≥97%
  • MDL No.None

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

4-(Benzoyloxy)cyclohexanone|CS-0196024

Structure of 23510-95-4

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General Information

  • CAS No. 23510-95-4
  • Cat. No. CS-0196024
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄O₃
  • Molecular Weight 218.25
  • Synonym(s) Benzoic acid 4-oxocyclohexan-1-yl ester
  • SMILES C1=CC=C(C=C1)C(=O)OC2CCC(=O)CC2

Synthesis

  • Route1
    • 4-Hydroxycyclohexyl benzoate|CS-0668857
      6308-92-5
    • ~84%
    • 4-(Benzoyloxy)cyclohexanone|CS-0196024
      23510-95-4

    References

    • Stokes, Suzanne S.; Gowravaram, Madhusudhan; Huynh, Hoan; Lu, Min; Mullen, George B.; Chen, Brendan; Albert, Robert; O'Shea, Thomas J.; Rooney, Michael T.; Hu, Haiqing; Newman, Joseph V.; Mills, Scott D. Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 1 p. 85 - 89
  • Route2
    • 1,4-Dioxaspiro[4.5]Decan-8-yl benzoate|CS-0455614
      76297-05-7
    • ~%
    • 4-(Benzoyloxy)cyclohexanone|CS-0196024
      23510-95-4

    References

    • US2011/280808 A1, ; Page/Page column 68 ;
  • Route3

    References

    • MERCK SHARP and DOHME CORP.; MERCK CANADA INC.; LIM, Jongwon; REUTERSHAN, Michael, H.; ELLIS, John Michael; CHILDERS, Kaleen Konrad; DONOFRIO, Anthony; ALTMAN, Michael, D.; HAIDLE, Andrew, M.; ZABIEREK, Anna; CHRISTOPHER, Matthew; GRIMM, Jonathan; BURCH, Jason; FRANCESCO, Maria Emilia Di; PETROCCHI, Alessia; BEAULIEU, Christian; TRUONG, Vouy Linh; NORTHRUP, Alan, B.; BLOUIN, Marc Patent: WO2013/192128 A1, 2013 ; Location in patent: Page/Page column 61 ;

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-H315-H319
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.3551
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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