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Methyl 5-(2,2-dihydroxyacetyl)-2-hydroxybenzoate

  • CAS No. 29754-58-3

  • Cat. No. CS-0333307
  • Molecule weight226.18
  • Purity≥98%
  • MDL No.None

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

Methyl 5-(2,2-dihydroxyacetyl)-2-hydroxybenzoate|CS-0333307

Structure of 29754-58-3

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General Information

  • CAS No. 29754-58-3
  • Cat. No. CS-0333307
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₆
  • Molecular Weight 226.18
  • Synonym(s) Methyl 5-(Dihydroxyacetyl)salicylate
  • SMILES COC(=O)C1=C(C=CC(=C1)C(=O)C(O)O)O

Synthesis

  • Route1

    References

    • Jacobsen, John R.; Choi, Seok Ki; Combs, Jesse; Fournier, Eric J.L.; Klein, Uwe; Pfeiffer, Juergen W.; Thomas, G. Roger; Yu, Cecile; Moran, Edmund J. Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 2 p. 1213 - 1218
  • Route2

    References

    • Advanced Medicine, Inc. Patent: US6362371 B1, 2002 ; Location in patent: Example 1 ; US 6362371 B1
  • Route3

    References

    • Journal of medicinal chemistry, , vol. 13, # 4 p. 674 - 680

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

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Computational Chemistry Data

  • TPSA   104.06
  • LogP   -0.3278
  • H_Acceptors   6
  • H_Donors   3
  • Rotatable_Bonds   3

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