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CS-W001157 4
Total: USD 88.00

(3S,3aR,6R,6aR)-6-Hydroxyhexahydrofuro[3,2-b]furan-3-yl acetate

  • CAS No. 13042-39-2

  • Cat. No. CS-0077635
  • Purity≥95%
  • MDL No.None

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

(3S,3aR,6R,6aR)-6-Hydroxyhexahydrofuro[3,2-b]furan-3-yl acetate|CS-0077635

Structure of 13042-39-2

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General Information

  • CAS No. 13042-39-2
  • Cat. No. CS-0077635
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₅
  • Molecular Weight 188.18
  • Synonym(s) Isosorbide-2-acetate
  • SMILES O[C@H]1[C@]2(OC[C@H](OC(C)=O)[C@]2(OC1)[H])[H]

Synthesis

  • Route1
    • (3R,3AR,6S,6aR)-hexahydrofuro[3,2-b]furan-3,6-diyl diacetate|CS-0776682
      13042-38-1
    • ~91%
    • (3S,3aR,6R,6aR)-6-Hydroxyhexahydrofuro[3,2-b]furan-3-yl acetate|CS-0077635
      13042-39-2

    References

    • Seemayer; Bar; Schneider Tetrahedron Asymmetry, 1992 , vol. 3, # 9 p. 1123 - 1126
  • Route2
    • null|null
      64-19-7
    • In-stock
      Isosorbide|CS-5157
      652-67-5
    • ~59%
    • (3S,3aR,6R,6aR)-6-Hydroxyhexahydrofuro[3,2-b]furan-3-yl acetate|CS-0077635
      13042-39-2
    • Isosorbide Impurity 16|CS-1004478
      65940-93-4
    • (3R,3AR,6S,6aR)-hexahydrofuro[3,2-b]furan-3,6-diyl diacetate|CS-0776682
      13042-38-1

    References

    • Shaikh; Kale; Shaikh, Md. Abrar; Puranik, Vedavati G.; Deshmukh Tetrahedron, 2007 , vol. 63, # 16 p. 3380 - 3388
  • Route3

    References

    • Boehringer Mannheim GmbH Patent: US5614643 A1, 1997 ;

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   64.99
  • LogP   -0.9234
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   1

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