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CS-W001157 4
Total: USD 88.00

4-(4-Hydroxymethylphenyl)benzoic acid

  • CAS No. 49743-87-5

  • Cat. No. CS-0206973
  • Purity≥95%
  • MDL No.MFCD06203044

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

4-(4-Hydroxymethylphenyl)benzoic acid|CS-0206973

Structure of 49743-87-5

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General Information

  • CAS No. 49743-87-5
  • Cat. No. CS-0206973
  • Purity ≥95%
  • MDL No. MFCD06203044
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₂O₃
  • Molecular Weight 228.24
  • Synonym(s) 4'-(Hydroxymethyl)-[1,1'-biphenyl]-4-carboxylic acid
  • SMILES C1=C(C=CC(=C1)C2=CC=C(C=C2)C(=O)O)CO

Synthesis

  • Route1
    • Methyl 4'-(hydroxymethyl)-[1,1'-biphenyl]-4-carboxylate|CS-0150815
      393522-78-6
    • ~99%
    • 4-(4-Hydroxymethylphenyl)benzoic acid|CS-0206973
      49743-87-5

    References

    • De Groot; Loos; Koekkoek; Van Berkom; Busscher; Seelen; Albrecht; De Bruijn; Scheeren Journal of Organic Chemistry, 2001 , vol. 66, # 26 p. 8815 - 8830
  • Route2

    References

    • De Groot; Loos; Koekkoek; Van Berkom; Busscher; Seelen; Albrecht; De Bruijn; Scheeren Journal of Organic Chemistry, 2001 , vol. 66, # 26 p. 8815 - 8830
  • Route3

    References

    • Petros, Andrew M.; Huth, Jeffrey R.; Oost, Thorsten; Park, Cheol-Min; Ding, Hong; Wang, Xilu; Zhang, Haichao; Nimmer, Paul; Mendoza, Renaldo; Sun, Chaohong; MacK, Jamey; Walter, Karl; Dorwin, Sarah; Gramling, Emily; Ladror, Uri; Rosenberg, Saul H.; Elmore, Steven W.; Fesik, Stephen W.; Hajduk, Philip J. Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 22 p. 6587 - 6591

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   57.53
  • LogP   2.5441
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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