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2,4,5-Trifluorobenzylamine

  • CAS No. 168644-93-7

  • Cat. No. CS-0157323
  • Purity≥95%
  • MDL No.MFCD00236316

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

2,4,5-Trifluorobenzylamine|CS-0157323

Structure of 168644-93-7

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General Information

  • CAS No. 168644-93-7
  • Cat. No. CS-0157323
  • Purity ≥95%
  • MDL No. MFCD00236316
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆F₃N
  • Molecular Weight 161.12
  • Synonym(s) Benzenemethanamine, 2,4,5-trifluoro- (9CI)
  • SMILES C1=C(CN)C(=CC(=C1F)F)F

Description

2,4,5-Trifluorobenzylamine features a trifluoromethylated benzyl scaffold with electron-withdrawing fluorine atoms at the 2, 4, and 5 positions. This configuration imparts enhanced metabolic stability and lipophilicity, making it a valuable building block in medicinal chemistry for targeted CNS-penetrant drug candidates.

Application

2,4,5-Trifluorobenzylamine serves as a valuable building block in medicinal chemistry, enabling the synthesis of fluorinated aromatic scaffolds. Its trifluoromethylbenzyl functionality offers enhanced metabolic stability and modulated lipophilicity. The primary amine group facilitates straightforward derivatization via amidation, alkylation, or reductive amination, while the molecule exhibits good bench stability and compatibility with standard purification techniques.

Synthesis

  • Route1

    References

    • Organic Letters, , vol. 1, # 2 p. 183 - 185

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 2735
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
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   26.02
  • LogP   1.5626
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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