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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 41722-49-0

  • Cat. No. CS-0512040
  • Molecule weight192.25
  • Purity≥98%
  • MDL No.MFCD08751318

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

(S)-5,8a-dimethyl-3,4,8,8a-tetrahydronaphthalene-1,6(2H,7H)-dione|CS-0512040

Structure of 41722-49-0

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General Information

  • CAS No. 41722-49-0
  • Cat. No. CS-0512040
  • Purity ≥98%
  • MDL No. MFCD08751318
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O₂
  • Molecular Weight 192.25
  • Synonym(s) (S)-5,8A-DIMETHYL-3,4,8,8A-TETRAHYDRO-2H,7H-NAPHTHALENE-1,6-DIONE
  • SMILES O=C1CCCC2=C(C)C(CC[C@]12C)=O

Synthesis

  • Route1
    • 2-Methyl-2-(3-oxopentyl)cyclohexane-1,3-dione|CS-0511673
      57440-68-3
    • ~85%
    • (S)-5,8a-dimethyl-3,4,8,8a-tetrahydronaphthalene-1,6(2H,7H)-dione|CS-0512040
      41722-49-0

    References

    • Takahashi, Shunya; Oritani, Takayuki; Yamashita, Kyohei Tetrahedron, 1988 , vol. 44, # 23 p. 7081 - 7088
  • Route2
    • 2-Methyl-2-(3-oxopentyl)cyclohexane-1,3-dione|CS-0511673
      57440-68-3
    • ~0%
    • null|null
      113666-06-1
    • (S)-5,8a-dimethyl-3,4,8,8a-tetrahydronaphthalene-1,6(2H,7H)-dione|CS-0512040
      41722-49-0

    References

    • Nozawa, Masato; Akita, Tetsuya; Hoshi, Takashi; Suzuki, Toshio; Hagiwara, Hisahiro Synlett, 2007 , # 4 p. 661 - 663
  • Route3

    References

    • Assefa, Haregewein; Nimrod, Alison; Walker, Larry; Sindelar, Robert Bioorganic and Medicinal Chemistry Letters, 2001 , vol. 11, # 13 p. 1619 - 1623

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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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