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CS-W001157 4
Total: USD 88.00

Methanone, (2-aminophenyl)(4-fluorophenyl)-

  • CAS No. 3800-06-4

  • Cat. No. CS-0031398
  • Molecule weight215.22
  • Purity≥98%
  • MDL No.None

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

Methanone, (2-aminophenyl)(4-fluorophenyl)-|CS-0031398

Structure of 3800-06-4

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General Information

  • CAS No. 3800-06-4
  • Cat. No. CS-0031398
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₀FNO
  • Molecular Weight 215.22
  • Synonym(s) methanone, (2-aminophenyl)(4-fluorophenyl)-
  • SMILES NC1=C(C(C2=CC=C(C=C2)F)=O)C=CC=C1

Description

(2-Aminophenyl)(4-fluorophenyl)methanone features a dual-functional aryl scaffold with an ortho-amino group and a para-fluoro substituent, enabling strategic integration into pharmaceutical intermediates. The electron-withdrawing fluorine enhances metabolic stability, while the amine moiety supports conjugation in coupling reactions. This compound serves as a key building block for bioactive heterocycles and targeted drug discovery programs under standard bench conditions.

Application

(2-Aminophenyl)(4-fluorophenyl)methanone serves as a versatile building block in medicinal chemistry, enabling the synthesis of biologically active heterocycles and pharmaceutical scaffolds. Its dual functional groups—amine and fluorinated aryl ketone—facilitate diverse transformations including cyclization, coupling reactions, and metal-catalyzed cross-couplings. The compound exhibits good bench stability and compatibility with standard purification methods, supporting efficient integration into multi-step synthetic sequences for API development.

Synthesis

  • Route1
    • null|null
      120303-62-0
    • ~92%
    • In-stock
      Methanone, (2-aminophenyl)(4-fluorophenyl)-|CS-0031398
      3800-06-4

    References

    • Zhang, Jintang; Yu, Chenmin; Wang, Sujing; Wan, Changfeng; Wang, Zhiyong Chemical Communications, 2010 , vol. 46, # 29 p. 5244 - 5246
  • Route2
    • 2-Amino-N-methoxy-N-methylbenzamide|CS-0131206
      133776-41-7
    • null|null
      460-00-4
    • ~44%
    • In-stock
      Methanone, (2-aminophenyl)(4-fluorophenyl)-|CS-0031398
      3800-06-4

    References

    • Acker, Timothy M.; Khatri, Alpa; Vance, Katie M.; Slabber, Cathryn; Bacsa, John; Snyder, James P.; Traynelis, Stephen F.; Liotta, Dennis C. Journal of Medicinal Chemistry, 2013 , vol. 56, # 16 p. 6434 - 6456
  • Route3
    • null|null
      460-00-4
    • In-stock
      2-Aminobenzonitrile|CS-W013598
      1885-29-6
    • ~%
    • In-stock
      Methanone, (2-aminophenyl)(4-fluorophenyl)-|CS-0031398
      3800-06-4

    References

    • US5506219 A1, ; US 5506219 A

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.09
  • LogP   2.6389
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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