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CS-W001157 4
Total: USD 88.00

3-(4-Aminophenoxy)benzoic acid

  • CAS No. 54579-63-4

  • Cat. No. CS-0212703
  • Purity≥98%
  • MDL No.MFCD09035494

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

3-(4-Aminophenoxy)benzoic acid|CS-0212703

Structure of 54579-63-4

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General Information

  • CAS No. 54579-63-4
  • Cat. No. CS-0212703
  • Purity ≥98%
  • MDL No. MFCD09035494
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁NO₃
  • Molecular Weight 229.23
  • Synonym(s) AKOS BC-0783
  • SMILES C1=CC(=CC(=C1)OC2=CC=C(C=C2)N)C(=O)O

Synthesis

  • Route1

    References

    • BAYER CORPORATION Patent: US2002/165394 A1, 2002 ; US 20020165394 A1 Title/Abstract Full Text Show Details BAYER CORPORATION Patent: US2003/181442 A1, 2003 ;
  • Route2
    • Methyl 3-(4-aminophenoxy)benzoate|CS-1718031
      192768-24-4
    • ~89%
    • 3-(4-Aminophenoxy)benzoic acid|CS-0212703
      54579-63-4

    References

    • Li, Zhengqiu; Hao, Piliang; Li, Lin; Tan, Chelsea Y. J.; Cheng, Xiamin; Chen, Grace Y. J.; Sze, Siu Kwan; Shen, Han-Ming; Yao, Shao Q. Angewandte Chemie - International Edition, 2013 , vol. 52, # 33 p. 8551 - 8556 Angew. Chem., 2013 , vol. 125, # 33 p. 8713 - 8718,6
  • Route3
    • null|null
      327-78-6
    • Methyl 5-(4-aminophenoxy)nicotinate|CS-0661737
      284462-58-4
    • ~%
    • 3-(4-Aminophenoxy)benzoic acid|CS-0212703
      54579-63-4

    References

    • BAYER CORPORATION Patent: US2003/144278 A1, 2003 ; US 20030144278 A1

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

Quality Control

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Computational Chemistry Data

  • TPSA   72.55
  • LogP   2.7593
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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