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CS-W001157 4
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[1,1'-Biphenyl]-4-ylmethanamine

  • CAS No. 712-76-5

  • Cat. No. CS-W017042
  • Purity≥95%
  • MDL No.MFCD01310838

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

[1,1'-Biphenyl]-4-ylmethanamine|CS-W017042

Structure of 712-76-5

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General Information

  • CAS No. 712-76-5
  • Cat. No. CS-W017042
  • Purity ≥95%
  • MDL No. MFCD01310838
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₃N
  • Molecular Weight 183.25
  • Synonym(s) biphenyl-4-ylmethanaminium
  • SMILES NCC1=CC=C(C2=CC=CC=C2)C=C1

Application

[1,1'-Biphenyl]-4-ylmethanamine serves as a versatile building block in medicinal chemistry and catalysis, enabling the synthesis of biaryl-containing amine scaffolds. Its robust biphenyl core provides structural rigidity and metabolic stability, while the primary amine functionality facilitates straightforward derivatization via amidation, alkylation, or reductive amination. The compound exhibits excellent bench stability and compatibility with standard coupling protocols, making it well-suited for both small-molecule library synthesis and process-scale applications.

Synthesis

  • Route1

    References

    • Trova, Michael Peter Patent: US2003/87906 A1, 2003 ; Title/Abstract Full Text Show Details Trova, Michael Peter Patent: US2003/92909 A1, 2003 ; Title/Abstract Full Text Show Details AMR Technology, Inc. Patent: US6969720 B2, 2005 ; Title/Abstract Full Text Show Details Trova, Michael Peter Patent: US2002/91263 A1, 2002 ; US 20020091263 A1
  • Route2

    References

    • Werkmeister, Svenja; Junge, Kathrin; Wendt, Bianca; Spannenberg, Anke; Jiao, Haijun; Bornschein, Christoph; Beller, Matthias Chemistry - A European Journal, 2014 , vol. 20, # 15 p. 4227 - 4231
  • Route3
    • (E)-[1,1'-biphenyl]-4-carbaldehyde oxime|CS-0452254
      40143-27-9
    • ~93%
    • In-stock
      [1,1'-Biphenyl]-4-ylmethanamine|CS-W017042
      712-76-5

    References

    • Pedras, M. Soledade C.; Sarma-Mamillapalle, Vijay K. Journal of Agricultural and Food Chemistry, 2012 , vol. 60, # 32 p. 7792 - 7798

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3259
Class : 8
Packing Group : Ⅲ
Hazard Statements : H318
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.8123
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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