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CS-W001157 4
Total: USD 88.00

4-Fluorocyclohexan-1-one

  • CAS No. 68223-64-3

  • Cat. No. CS-0091730
  • Molecule weight116.13
  • Purity≥98%
  • MDL No.MFCD11520472

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

4-Fluorocyclohexan-1-one|CS-0091730

Structure of 68223-64-3

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General Information

  • CAS No. 68223-64-3
  • Cat. No. CS-0091730
  • Purity ≥98%
  • MDL No. MFCD11520472
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₉FO
  • Molecular Weight 116.13
  • Synonym(s) 4-Fluorocyclohexanone
  • SMILES O=C1CCC(F)CC1

Synthesis

  • Route1
    • 4-Fluorocyclohexanol|CS-0056702
      74058-19-8
    • ~45%
    • 4-Fluorocyclohexan-1-one|CS-0091730
      68223-64-3

    References

    • F. HOFFMANN-LA ROCHE AG; HOFFMANN-LA ROCHE INC.; BUETTELMANN, Bernd; CECCARELLI, Simona M.; KUEHNE, Holger; KUHN, Bernd; NEIDHART, Werner; OBST SANDER, Ulrike; RICHTER, Hans Patent: WO2013/189841 A1, 2013 ; Location in patent: Page/Page column 224 ;
  • Route2
    • (1S,4s)-4-fluorocyclohexan-1-ol|CS-0493769
      917771-50-7
    • ~72%
    • 4-Fluorocyclohexan-1-one|CS-0091730
      68223-64-3

    References

    • Julian, Lisa D.; Wang, Zhulun; Bostick, Tracy; Caille, Seb; Choi, Rebekah; DeGraffenreid, Michael; Di, Yongmei; He, Xiao; Hungate, Randall W.; Jaen, Juan C.; Liu, Jinsong; Monshouwer, Mario; McMinn, Dustin; Rew, Yosup; Sudom, Athena; Sun, Daqing; Tu, Hua; Ursu, Stefania; Walker, Nigel; Yan, Xuelei; Ye, Qiuping; Powers, Jay P. Journal of Medicinal Chemistry, 2008 , vol. 51, # 13 p. 3953 - 3960
  • Route3

    References

    • Goss, Rebecca J. M.; Lanceron, Simon E.; Wise, Nicola J.; Moss, Steven J. Organic and Biomolecular Chemistry, 2006 , vol. 4, # 22 p. 4071 - 4073

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1224
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225-H302+H312+H332-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   1.4676
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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