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CS-W001157 4
Total: USD 88.00

3-(Phenylamino)benzoic acid

  • CAS No. 6025-56-5

  • Cat. No. CS-0524880
  • Purity≥98%
  • MDL No.None

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

3-(Phenylamino)benzoic acid|CS-0524880

Structure of 6025-56-5

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General Information

  • CAS No. 6025-56-5
  • Cat. No. CS-0524880
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁NO₂
  • Molecular Weight 213.23
  • Synonym(s) Benzoic acid,3-(phenylamino)
  • SMILES O=C(O)C1=CC=CC(NC2=CC=CC=C2)=C1

Synthesis

  • Route1
    • In-stock
      Methyl 3-bromobenzoate|CS-W005465
      618-89-3
    • null|null
      74497-02-2
    • ~82%
    • In-stock
      3-(Phenylamino)benzoic acid|CS-0524880
      6025-56-5

    References

    • PHARMACIA and UPJOHN COMPANY Patent: WO2004/18414 A2, 2004 ; Location in patent: Page 76 ;
  • Route2
    • methyl 3-(phenylamino)benzoate|CS-1006850
      55622-43-0
    • ~73%
    • In-stock
      3-(Phenylamino)benzoic acid|CS-0524880
      6025-56-5

    References

    • Adeniji, Adegoke O.; Twenter, Barry M.; Byrns, Michael C.; Jin, Yi; Chen, Mo; Winkler, Jeffrey D.; Penning, Trevor M. Journal of Medicinal Chemistry, 2012 , vol. 55, # 5 p. 2311 - 2323
  • Route3

    References

    • KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN RandD; REMYND; GRIFFIOEN, Gerard; VAN DOOREN, Tom; ROJAS DE LA PARRA, Veronica; ALLASIA, Sara; MARCHAND, Arnaud; KILONDA, Amuri; CHALTIN, Patrick Patent: WO2012/80221 A1, 2012 ; Location in patent: Page/Page column 94 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   49.33
  • LogP   3.1284
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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