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CS-W001157 4
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(3aS,6aS)-2,2-Dimethyl-3aH-cyclopenta[d][1,3]dioxol-4(6aH)-one

  • CAS No. 104010-72-2

  • Cat. No. CS-0053375
  • Purity≥98%
  • MDL No.None

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

(3aS,6aS)-2,2-Dimethyl-3aH-cyclopenta[d][1,3]dioxol-4(6aH)-one|CS-0053375

Structure of 104010-72-2

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General Information

  • CAS No. 104010-72-2
  • Cat. No. CS-0053375
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀O₃
  • Molecular Weight 154.16
  • Synonym(s) (3aS,6aS)-2,2-dimethyl-2H,3aH,4H,6aH-cyclopenta[d][1,3]dioxol-4-one
  • SMILES CC1(C)O[C@H]2C=CC(=O)[C@H]2O1

Synthesis

  • Route1
    • null|null
      369647-26-7
    • ~85%
    • (3aS,6aS)-2,2-Dimethyl-3aH-cyclopenta[d][1,3]dioxol-4(6aH)-one|CS-0053375
      104010-72-2

    References

    • The Trustees of the University of Pennsylvania; Monell Chemical Sense Center Patent: US2009/76142 A1, 2009 ; Location in patent: Page/Page column 15-16 ;
  • Route2
    • null|null
      113565-13-2
    • ~92%
    • (3aS,6aS)-2,2-Dimethyl-3aH-cyclopenta[d][1,3]dioxol-4(6aH)-one|CS-0053375
      104010-72-2

    References

    • Johnson; Penning Journal of the American Chemical Society, 1988 , vol. 110, # 14 p. 4726 - 4735
  • Route3
    • null|null
      474093-14-6
    • ~87%
    • (3aS,6aS)-2,2-Dimethyl-3aH-cyclopenta[d][1,3]dioxol-4(6aH)-one|CS-0053375
      104010-72-2

    References

    • Moon, Hyung Ryong; Choi, Won Jun; Kim, Hea Ok; Jeong, Lak Shin Tetrahedron Asymmetry, 2002 , vol. 13, # 11 p. 1189 - 1193

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   0.6454
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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