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CS-W001157 4
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4-Cyclohexyl-4-oxobutanoic acid

  • CAS No. 15971-95-6

  • Cat. No. CS-0576442
  • Purity≥98%
  • MDL No.None

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

4-Cyclohexyl-4-oxobutanoic acid|CS-0576442

Structure of 15971-95-6

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General Information

  • CAS No. 15971-95-6
  • Cat. No. CS-0576442
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₆O₃
  • Molecular Weight 184.23
  • Synonym(s) 4-Cyclohexyl-4-oxobutyric acid
  • SMILES C1CCC(CC1)C(=O)CCC(=O)O

Synthesis

  • Route1

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH Patent: WO2009/92566 A1, 2009 ; Location in patent: Page/Page column 68 ;
  • Route2

    References

    • Baxter, Ellen W.; Conway, Kelly A.; Kennis, Ludo; Bischoff, Francois; Mercken, Marc H.; De Winter, Hans L.; Reynolds, Charles H.; Tounge, Brett A.; Luo, Chi; Scott, Malcolm K.; Huang, Yifang; Braeken, Mirielle; Pieters, Serge M. A.; Berthelot, Didier J. C.; Masure, Stefan; Bruinzeel, Wouter D.; Jordan, Alfonzo D.; Parker, Michael H.; Boyd, Robert E.; Qu, Junya; Alexander, Richard S.; Brenneman, Douglas E.; Reitz, Allen B. Journal of Medicinal Chemistry, 2007 , vol. 50, # 18 p. 4261 - 4264
  • Route3
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    • 4-Cyclohexyl-4-oxobutanoic acid|CS-0576442
      15971-95-6

    References

    • Tetrahedron Letters, , vol. 23, # 3 p. 271 - 274

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   2.0006
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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