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CS-W001157 4
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(3s,4s,6r)-3-Hexyl-4-hydroxy-6-undecyl-tetrahydropyran-2-one

  • CAS No. 104801-96-9

  • Cat. No. CS-0309757
  • Molecule weight354.57
  • Purity≥97%
  • MDL No.None

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

(3s,4s,6r)-3-Hexyl-4-hydroxy-6-undecyl-tetrahydropyran-2-one|CS-0309757

Structure of 104801-96-9

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General Information

  • CAS No. 104801-96-9
  • Cat. No. CS-0309757
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₂H₄₂O₃
  • Molecular Weight 354.57
  • Synonym(s) (3S,4S,6R)-3-Hexyl-4-hydroxy-6-undecyltetrahydro-2H-pyran-2-one
  • SMILES CCCCCCCCCCC[C@H]1OC(=O)[C@@H](CCCCCC)[C@@H](O)C1

Synthesis

  • Route1
    • Orlistat Impurity 63|CS-1000472
      112836-64-3
    • ~84%
    • In-stock
      (3s,4s,6r)-3-Hexyl-4-hydroxy-6-undecyl-tetrahydropyran-2-one|CS-0309757
      104801-96-9

    References

    • Polkowska, Jolanta; Lukaszewicz, Ewa; Kiegiel, Jaroslaw; Jurczak, Janusz Tetrahedron Letters, 2004 , vol. 45, # 20 p. 3873 - 3875
  • Route2

    References

    • Tetrahedron Letters, , vol. 45, # 20 p. 3873 - 3875
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 53, # 6 p. 1218 - 1221

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   6.1703
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   15

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