646051-52-7

Usage

Uses

Used in Pharmaceutical Industry:
C₁₄H₁₃F₂NClH is used as a reactant for the preparation of non-classical nucleoside antiviral drugs based on N,N-diarylformamide. Its unique structure and properties make it a valuable component in the development of new antiviral medications, potentially contributing to the treatment and prevention of viral infections.

Upstream product

• 459-57-4 4-fluorobenzaldehyde 
• 140-75-0 para-fluorobenzylamine 
• 428819-12-9 N-(4-fluorobenzylidene)-1-(4-fluorophenyl)methanamine 

Relevant academic research and scientific papers

Computationally forecasting the effect of dibenzylammonium substituents on pseudorotaxane formation with dibenzo[24]crown-8

The ability to predict the relative stabilities of analogous pseudorotaxanes is essential for the synthetic chemist yet simplified computational forecasting approaches remain scarce. Consequently, ten [2]pseudorotaxanes have been assembled (from a series of para-substituted dibenzylammonium ions and dibenzo[24]crown-8) and their experimentally-determined stabilities correlated with two computational parameters closely related to complexation energy. The strongest relationship was obtained from density functional theory calculation of binding energy (R2 = 0.92) while determination of the maximum surface electrostatic potential on the dibenzylammonium ions (a proxy indicator of complex stability) afforded comparable results (R2 = 0.88) with great reduction in computational expense.