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CS-W001157 4
Total: USD 88.00

3,4-Bis(acetyloxy)benzoic acid

  • CAS No. 58534-64-8

  • Cat. No. CS-0218152
  • Purity≥97%
  • MDL No.None

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

3,4-Bis(acetyloxy)benzoic acid|CS-0218152

Structure of 58534-64-8

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General Information

  • CAS No. 58534-64-8
  • Cat. No. CS-0218152
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀O₆
  • Molecular Weight 238.19
  • Synonym(s) 3,4-Diacetoxybenzoic acid
  • SMILES CC(=O)OC1=C(C=C(C=C1)C(=O)O)OC(=O)C

Synthesis

  • Route1
    • 3,4-Dihydroxybenzoic acid Erlotinib Impurity|CS-0167073
      99-50-3
    • null|null
      108-24-7
    • ~95%
    • 3,4-Bis(acetyloxy)benzoic acid|CS-0218152
      58534-64-8

    References

    • Zhang, Qingzhi; Raheem, K. Saki; Botting, Nigel P.; Slawin, Alexandra M.Z.; Kay, Colin D.; O'Hagan, David Tetrahedron, 2012 , vol. 68, # 22 p. 4194 - 4201
  • Route2
    • 3,4-Dihydroxybenzoic acid Erlotinib Impurity|CS-0167073
      99-50-3
    • ~%
    • 3,4-Bis(acetyloxy)benzoic acid|CS-0218152
      58534-64-8

    References

    • Kureha Kagaku Kogyo Kabushiki Kaisha Patent: US4725598 A1, 1988 ;
  • Route3
    • null|null
      90826-59-8
    • ~50%
    • 3,4-Bis(acetyloxy)benzoic acid|CS-0218152
      58534-64-8
    • null|null
      90826-60-1

    References

    • Mentlein, Rolf; Vowinkel, Erich Liebigs Annalen der Chemie, 1984 , # 5 p. 1024 - 1035

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-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   89.9
  • LogP   1.2354
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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