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CS-W001157 4
Total: USD 88.00

4-(3,4-Dimethoxyphenyl)benzoic acid

  • CAS No. 122294-10-4

  • Cat. No. CS-0213274
  • Molecule weight258.27
  • Purity≥98%
  • MDL No.MFCD03424612

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

4-(3,4-Dimethoxyphenyl)benzoic acid|CS-0213274

Structure of 122294-10-4

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General Information

  • CAS No. 122294-10-4
  • Cat. No. CS-0213274
  • Purity ≥98%
  • MDL No. MFCD03424612
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₄O₄
  • Molecular Weight 258.27
  • Synonym(s) 3',4'-DIMETHOXYBIPHENYL-4-CARBOXYLIC ACID
  • SMILES COC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)OC

Synthesis

  • Route1
    • Methyl 3',4'-dimethoxy-[1,1'-biphenyl]-4-carboxylate|CS-0691775
      122294-03-5
    • ~55%
    • 4-(3,4-Dimethoxyphenyl)benzoic acid|CS-0213274
      122294-10-4

    References

    • Tilley; Clader; Zawoiski; Wirkus; LeMahieu; O'Donnell; Crowley; Welton Journal of Medicinal Chemistry, 1989 , vol. 32, # 8 p. 1814 - 1820
  • Route2
    • Ethyl 3′,4′-dimethoxy[1,1′-biphenyl]-4-carboxylate|CS-1229963
      281233-39-4
    • ~%
    • 4-(3,4-Dimethoxyphenyl)benzoic acid|CS-0213274
      122294-10-4

    References

    • Klein, Scott I.; Czekaj, Mark; Gardner, Charles J.; Guertin, Kevin R.; Cheney, Daniel L.; Spada, Alfred P.; Bolton, Scott A.; Brown, Karen; Colussi, Dennis; Heran, Christopher L.; Morgan, Suzanne R.; Leadley, Robert J.; Dunwiddie, Christopher T.; Perrone, Mark H.; Chu, Valeria Journal of Medicinal Chemistry, 1998 , vol. 41, # 4 p. 437 - 450
  • Route3

    References

    • Klein, Scott I.; Czekaj, Mark; Gardner, Charles J.; Guertin, Kevin R.; Cheney, Daniel L.; Spada, Alfred P.; Bolton, Scott A.; Brown, Karen; Colussi, Dennis; Heran, Christopher L.; Morgan, Suzanne R.; Leadley, Robert J.; Dunwiddie, Christopher T.; Perrone, Mark H.; Chu, Valeria Journal of Medicinal Chemistry, 1998 , vol. 41, # 4 p. 437 - 450

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   55.76
  • LogP   3.069
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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