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(1S,2R)-2-(Benzyloxymethyl)-1-hydroxy-3-cyclopentene Entecavir Impurity

  • CAS No. 110567-21-0

  • Cat. No. CS-0228967
  • Purity≥98%
  • MDL No.MFCD09263486

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

(1S,2R)-2-(Benzyloxymethyl)-1-hydroxy-3-cyclopentene Entecavir Impurity|CS-0228967

Structure of 110567-21-0

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General Information

  • CAS No. 110567-21-0
  • Cat. No. CS-0228967
  • Purity ≥98%
  • MDL No. MFCD09263486
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆O₂
  • Molecular Weight 204.26
  • Synonym(s) Entecavir inter-7
  • SMILES C(C1=CC=CC=C1)OC[C@H]2C=CC[C@@H]2O

Synthesis

  • Route1

    References

    • Woll, Matthew G.; Fisk, John D.; LePlae, Paul R.; Gellman, Samuel H. Journal of the American Chemical Society, 2002 , vol. 124, # 42 p. 12447 - 12452
  • Route2
    • ((Cyclopenta-2,4-dien-1-ylmethoxy)methyl)benzene|CS-1089778
      39939-07-6
    • ~%
    • (1S,2R)-2-(Benzyloxymethyl)-1-hydroxy-3-cyclopentene Entecavir Impurity|CS-0228967
      110567-21-0

    References

    • Biggadike, Keith; Borthwick, Alan D.; Evans, Derek; Exall, Anne M.; Kirk, Barrie E.; et al. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1988 , p. 549 - 554
  • Route3

    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   29.46
  • LogP   2.1402
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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