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2-(1-(2-Methoxy-2-oxoethyl)cyclohexyl)acetic acid

  • CAS No. 60142-94-1

  • Cat. No. CS-0475236
  • Molecule weight214.26
  • Purity≥98%
  • MDL No.None

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

2-(1-(2-Methoxy-2-oxoethyl)cyclohexyl)acetic acid|CS-0475236

Structure of 60142-94-1

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General Information

  • CAS No. 60142-94-1
  • Cat. No. CS-0475236
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₈O₄
  • Molecular Weight 214.26
  • Synonym(s) 1,1-Cyclohexanediacetic acid mono methyl ester
  • SMILES COC(=O)CC1(CCCCC1)CC(O)=O

Synthesis

  • Route1
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      67-56-1
    • ~%
    • 2-(1-(2-Methoxy-2-oxoethyl)cyclohexyl)acetic acid|CS-0475236
      60142-94-1

    References

    • Kyorin Pharmaceutical Co., Ltd.; Nisshin Pharma Inc. Patent: EP1443046 A1, 2004 ; Location in patent: Page 45 ; EP 1443046 A1
  • Route2

    References

    • Stymiest, Jake L.; Mitchell, Bryan F.; Wong, Susan; Vederas, John C. Journal of Organic Chemistry, 2005 , vol. 70, # 20 p. 7799 - 7809
  • Route3

    References

    • Stymiest, Jake L.; Mitchell, Bryan F.; Wong, Susan; Vederas, John C. Journal of Organic Chemistry, 2005 , vol. 70, # 20 p. 7799 - 7809

Safety Information

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   1.9747
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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