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CS-W001157 4
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Methyl 4'-aminobiphenyl-3-carboxylate

  • CAS No. 400747-22-0

  • Cat. No. CS-0212542
  • Purity≥98%
  • MDL No.MFCD04039111

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

Methyl 4'-aminobiphenyl-3-carboxylate|CS-0212542

Structure of 400747-22-0

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General Information

  • CAS No. 400747-22-0
  • Cat. No. CS-0212542
  • Purity ≥98%
  • MDL No. MFCD04039111
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₃NO₂
  • Molecular Weight 227.26
  • Synonym(s) METHYL 4-AMINOBIPHENYL-3-CARBOXYLATE
  • SMILES COC(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)N

Synthesis

  • Route1
    • Methyl 4'-nitro-[1,1'-biphenyl]-3-carboxylate|CS-0685728
      107558-26-9
    • ~97%
    • Methyl 4'-aminobiphenyl-3-carboxylate|CS-0212542
      400747-22-0

    References

    • WO2005/85177 A2, ; Page/Page column 48-49 ;
  • Route2
    • 4'-Nitrobiphenyl-3-carboxylic acid|CS-0208561
      729-01-1
    • ~%
    • Methyl 4'-aminobiphenyl-3-carboxylate|CS-0212542
      400747-22-0

    References

    • Bioorganic and Medicinal Chemistry, , vol. 20, # 4 p. 1557 - 1568
  • Route3

    References

    • Bioorganic and Medicinal Chemistry, , vol. 20, # 4 p. 1557 - 1568

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H319-H401-H411
Precautionary Statements : P264-P273-P280-P305+P351+P338-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   2.7224
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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