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CS-W001157 4
Total: USD 88.00

(1S,2R,3S,5R)-2-((benzyloxy)methyl)-6-oxabicyclo[3.1.0]hexan-3-ol Entecavir Impurity

  • CAS No. 117641-39-1

  • Cat. No. CS-0165042
  • Molecule weight220.26
  • Purity95+%
  • MDL No.MFCD09750962

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

(1S,2R,3S,5R)-2-((benzyloxy)methyl)-6-oxabicyclo[3.1.0]hexan-3-ol  Entecavir Impurity|CS-0165042

Structure of 117641-39-1

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General Information

  • CAS No. 117641-39-1
  • Cat. No. CS-0165042
  • Purity 95+%
  • MDL No. MFCD09750962
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆O₃
  • Molecular Weight 220.26
  • Synonym(s) Entecavir intermediate 2
  • SMILES O[C@@H]1[C@@H](COCC2=CC=CC=C2)[C@]3([H])O[C@]3([H])C1

Synthesis

  • Route1
    • (1S,2R)-2-(Benzyloxymethyl)-1-hydroxy-3-cyclopentene Entecavir Impurity|CS-0228967
      110567-21-0
    • ~93%
    • (1S,2R,3S,5R)-2-((benzyloxy)methyl)-6-oxabicyclo[3.1.0]hexan-3-ol  Entecavir Impurity|CS-0165042
      117641-39-1

    References

    • Gathergood; Knudsen; Jorgensen Journal of Organic Chemistry, 2001 , vol. 66, # 3 p. 1014 - 1017
  • Route2

    References

    • Synthesis, , # 13 p. 2101 - 2109
  • Route3
    • ((Cyclopenta-2,4-dien-1-ylmethoxy)methyl)benzene|CS-1089778
      39939-07-6
    • ~%
    • (1S,2R,3S,5R)-2-((benzyloxy)methyl)-6-oxabicyclo[3.1.0]hexan-3-ol  Entecavir Impurity|CS-0165042
      117641-39-1

    References

    • Synthesis, , # 13 p. 2101 - 2109

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   41.99
  • LogP   1.3514
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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