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2-Methyl-2-(3-oxopentyl)cyclohexane-1,3-dione

  • CAS No. 57440-68-3

  • Cat. No. CS-0511673
  • Purity≥98%
  • MDL No.None

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

2-Methyl-2-(3-oxopentyl)cyclohexane-1,3-dione|CS-0511673

Structure of 57440-68-3

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General Information

  • CAS No. 57440-68-3
  • Cat. No. CS-0511673
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₈O₃
  • Molecular Weight 210.27
  • Synonym(s) 1,3-Cyclohexanedione, 2-methyl-2-(3-oxopentyl)-
  • SMILES O=C1C(CCC(CC)=O)(C)C(CCC1)=O

Synthesis

  • Route1

    References

    • Ling, Taotao; Xu, Jing; Smith, Ryan; Ali, Abbas; Cantrell, Charles L.; Theodorakis, Emmanuel A. Tetrahedron, 2011 , vol. 67, # 17 p. 3023 - 3029
  • Route2

    References

    • Lanfranchi, Don Antoine; Baldovini, Nicolas; Hanquet, Gilles Synthesis, 2008 , # 23 art. no. Z12008SS, p. 3775 - 3778
  • Route3
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      1629-58-9
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      32774-63-3
    • ~%
    • 2-Methyl-2-(3-oxopentyl)cyclohexane-1,3-dione|CS-0511673
      57440-68-3

    References

    • Hiroi; Yamada Chemical and Pharmaceutical Bulletin, 1975 , vol. 23, # 5 p. 1103 - 1109

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

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Computational Chemistry Data

  • TPSA   51.21
  • LogP   2.0741
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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