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CS-W001157 4
Total: USD 88.00

5,8A-dimethyl-3,4,8,8a-tetrahydronaphthalene-1,6(2H,7H)-dione

  • CAS No. 41019-71-0

  • Cat. No. CS-0512013
  • Purity≥98%
  • MDL No.None

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

5,8A-dimethyl-3,4,8,8a-tetrahydronaphthalene-1,6(2H,7H)-dione|CS-0512013

Structure of 41019-71-0

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General Information

  • CAS No. 41019-71-0
  • Cat. No. CS-0512013
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O₂
  • Molecular Weight 192.25
  • Synonym(s) 5,8a-Dimethyl-3,4,8,8a-tetrahydro-1,6-(2H,7H)-naphthalenedione
  • SMILES O=C1CCCC2=C(C)C(CCC12C)=O

Synthesis

  • Route1
    • null|null
      31062-32-5
    • ~97%
    • 5,8A-dimethyl-3,4,8,8a-tetrahydronaphthalene-1,6(2H,7H)-dione|CS-0512013
      41019-71-0

    References

    • Ates, Ali; Gautier, Arnaud; Leroy, Bernard; Plancher, Jean-Marc; Quesnel, Yannick; Vanherck, Jean-Christophe; Marko, Istvan E. Tetrahedron, 2003 , vol. 59, # 45 p. 8989 - 8999
  • Route2
    • 2-Methyl-2-(3-oxopentyl)cyclohexane-1,3-dione|CS-0511673
      57440-68-3
    • ~89%
    • 5,8A-dimethyl-3,4,8,8a-tetrahydronaphthalene-1,6(2H,7H)-dione|CS-0512013
      41019-71-0

    References

    • Liu, Hsing-Jang; Wynn, Hla Canadian Journal of Chemistry, 1986 , vol. 64, p. 658 - 666
  • Route3

    References

    • Kawanami, Hajime; Ikushima, Yutaka Tetrahedron Letters, 2004 , vol. 45, # 26 p. 5147 - 5150

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   34.14
  • LogP   2.4251
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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