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CS-W001157 4
Total: USD 88.00

4,4-Dimethoxycyclohexan-1-one

  • CAS No. 56180-50-8

  • Cat. No. CS-0504765
  • Purity≥98%
  • MDL No.None

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

4,4-Dimethoxycyclohexan-1-one|CS-0504765

Structure of 56180-50-8

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General Information

  • CAS No. 56180-50-8
  • Cat. No. CS-0504765
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₃
  • Molecular Weight 158.19
  • Synonym(s) Cyclohexanone, 4,4-dimethoxy-
  • SMILES COC1(OC)CCC(=O)CC1

Synthesis

  • Route1
    • 4,4-Dimethoxycyclohexa-2,5-dien-1-one|CS-1664889
      935-50-2
    • ~93%
    • 4,4-Dimethoxycyclohexan-1-one|CS-0504765
      56180-50-8

    References

    • Koenig, Thomas M.; Daeuble, John F.; Brestensky, Donna M.; Stryker, Jeffrey M. Tetrahedron Letters, 1990 , vol. 31, # 23 p. 3237 - 3240
  • Route2
    • 4,4-Dimethoxycyclohexan-1-ol|CS-0622971
      112906-44-2
    • ~78%
    • 4,4-Dimethoxycyclohexan-1-one|CS-0504765
      56180-50-8

    References

    • Lehnherr, Dan; Hallani, Rawad; McDonald, Robert; Anthony, John E.; Tykwinski, Rik R. Organic Letters, 2012 , vol. 14, # 1 p. 62 - 65
  • Route3

    References

    • Clerici, Angelo; Pastori, Nadia; Porta, Ombretta Tetrahedron, 2001 , vol. 57, # 1 p. 217 - 225

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   1.1186
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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