4-Butyl-2,6-difluorophenylpropyl phenylacetylene

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Introduction

 

Section Details
Chemical Structure Name: 4-Butyl-2.6-difluorophenylpropyl phenylacetylene
Formula: C₂₇H₂₆F₂
CAS No.: 221526-79-0
Molecular Weight: 388.49 g/mol
Structure: Biphenyl derivative with butyl substitution at one phenyl ring and fluorine atoms at the 2.6-positions of the other, linked via an ethynyl bridge.
Physical Properties Boiling Point: 484.3±45.0 °C (predicted)
Density: 1.11±0.1 g/cm³ (predicted)
Solubility: Likely hydrophobic due to fluorine substitution (specific data unavailable).
Chemical Properties Stability: Fluorination enhances thermal and chemical stability.
Reactivity: Fluorine substituents reduce nucleophilicity but may allow electrophilic aromatic substitution under harsh conditions.
Synthesis Methods Likely involves cross-coupling reactions (e.g., Suzuki-Miyaura) or nucleophilic substitutions to link the fluorinated phenyl ring with the phenylacetylene group. Specific protocols require further literature review.
Applications Pharmaceuticals: Intermediate for synthesizing fluorinated drugs (e.g., antifungals, anti-inflammatories).
Materials Science: Potential use in liquid crystals or electronic materials due to fluorination-induced anisotropic properties.
Research: Model compound to study fluorine effects on molecular conformation, metabolic stability, and membrane permeability.
Supplier Information Commercially available from multiple vendors (e.g., Beijing Yunji, T&W GROUP) in purities ≥98%, with packaging from 1g to 160kg.

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