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CS-W001157 4
Total: USD 88.00

4-Fluoro-N-methylbenzylamine

  • CAS No. 405-66-3

  • Cat. No. CS-0172466
  • Purity≥97%
  • MDL No.MFCD03839848

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

4-Fluoro-N-methylbenzylamine|CS-0172466

Structure of 405-66-3

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General Information

  • CAS No. 405-66-3
  • Cat. No. CS-0172466
  • Purity ≥97%
  • MDL No. MFCD03839848
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀FN
  • Molecular Weight None
  • Synonym(s) None
  • SMILES CNCC1=CC=C(C=C1)F

Description

4-Fluoro-N-methylbenzylamine features a fluorinated aromatic ring paired with a tertiary amine side chain, delivering enhanced metabolic stability and improved membrane permeability. This combination enables efficient incorporation into bioactive molecules for medicinal chemistry campaigns targeting CNS receptors and kinase inhibitors.

Application

4-Fluoro-N-methylbenzylamine serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted benzylamine scaffolds. Its fluorinated aromatic ring enhances metabolic stability and modulates electronic properties, while the N-methyl group provides favorable lipophilicity and improved membrane permeability. The amine functionality facilitates straightforward derivatization via alkylation, acylation, or reductive amination, supporting rapid library synthesis for target-directed compound development.

Synthesis

  • Route1
    • null|null
      84174-25-4
    • ~98%
    • In-stock
      4-Fluoro-N-methylbenzylamine|CS-0172466
      405-66-3

    References

    • PFIZER PRODUCTS INC. Patent: WO2005/80373 A1, 2005 ; Location in patent: Page/Page column 111 ;
  • Route2
    • null|null
      74-89-5
    • null|null
      352-11-4
    • ~67%
    • In-stock
      4-Fluoro-N-methylbenzylamine|CS-0172466
      405-66-3

    References

    • Elslager, Edward F.; Johnson, Judith L.; Werbel, Leslie M. Journal of Medicinal Chemistry, 1981 , vol. 24, # 2 p. 140 - 145
  • Route3
    • p-Fluorobenzenecarboxaldehyde Atorvastatin calcium|CS-0214005
      459-57-4
    • ~%
    • In-stock
      4-Fluoro-N-methylbenzylamine|CS-0172466
      405-66-3

    References

    • Cao, Weidi; Liu, Xiaohua; Wang, Wentao; Lin, Lili; Feng, Xiaoming Organic Letters, 2011 , vol. 13, # 4 p. 600 - 603

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅲ
Hazard Statements : H227-H315-H317-H318-H335
Precautionary Statements : P210-P261-P264-P271-P272-P280-P302+P352-P304+P340-P362+P364-P370+P378-P403-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   12.03
  • LogP   1.5451
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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