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CS-W001157 4
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(3aR,6aR)-2,2-Dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-one

  • CAS No. 595581-64-9

  • Cat. No. CS-0053382
  • Purity≥98%
  • MDL No.None

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

(3aR,6aR)-2,2-Dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-one|CS-0053382

Structure of 595581-64-9

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General Information

  • CAS No. 595581-64-9
  • Cat. No. CS-0053382
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₃
  • Molecular Weight 156.18
  • Synonym(s) (-)-(3AR,6AR)-Tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-one
  • SMILES CC1(C)O[C@@H]2CCC(=O)[C@@H]2O1

Synthesis

  • Route1

    References

    • Peyrot Des Gachons, Catherine; Sperry, Jeffrey B.; Bryant, Bruce; Breslin, Paul A.S.; Smith, III, Amos B.; Beauchamp, Gary K. Patent: US2011/20424 A1, 2011 ; Location in patent: Page/Page column 16 ;
  • Route2
    • (3aS,4S,6aR)-2,2-Dimethyl-3a,6a-dihydro-4H-cyclopenta[d][1,3]dioxol-4-ol|CS-0130979
      185622-63-3
    • ~%
    • (3aS,4S,6aR)-2,2-Dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-ol|CS-1180489
      877651-72-4
    • (3aR,6aR)-2,2-Dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-one|CS-0053382
      595581-64-9

    References

    • Converso, Antonella; Hartingh, Timothy J.; Fraley, Mark E. Patent: US2011/160229 A1, 2011 ; Location in patent: Page/Page column 12; 13 ;
  • Route3
    • null|null
      62414-57-7
    • ~83%
    • (3aR,6aR)-2,2-Dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-one|CS-0053382
      595581-64-9

    References

    • Vonlanthen, David; Leumann, Christian J. Synthesis, 2003 , # 7 p. 1087 - 1090

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   0.8694
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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