Description
4-Butyl-4′-((2,6-difluoro-4-propylphenyl)ethynyl)-1,1′-biphenyl (CAS No. 1229648-10-5) is a high-purity organic compound with the molecular formula C27H26F2, designed for advanced research and industrial applications. This biphenyl derivative features a unique structure incorporating a butyl group, difluorophenyl moiety, and propyl-substituted ethynyl linkage, making it a valuable intermediate in materials science and pharmaceutical research. Its IUPAC name, 2-[2-[4-(4-butylphenyl)phenyl]ethynyl]-1,3-difluoro-5-propylbenzene, reflects its precise chemical architecture. Ideal for liquid crystal formulations, organic electronics, and ligand synthesis, this compound is rigorously tested for consistency and purity (typically ≥95% by HPLC or GC analysis). Available in milligram to kilogram quantities, it is supplied in sealed containers under inert gas to ensure stability. Synonyms include SCHEMBL15980421, BS-48791, and F71385.
Properties
- CAS Number: 1229648-10-5
- Complexity: 515
- IUPAC Name: 2-[2-[4-(4-butylphenyl)phenyl]ethynyl]-1,3-difluoro-5-propyl-benzene
- InChI: InChI=1S/C27H26F2/c1-3-5-7-20-8-13-23(14-9-20)24-15-10-21(11-16-24)12-17-25-26(28)18-22(6-4-2)19-27(25)29/h8-11,13-16,18-19H,3-7H2,1-2H3
- InChI Key: RBJRHDYLEBIIBC-UHFFFAOYSA-N
- Exact Mass: 388.20025715
- Molecular Formula: C27H26F2
- Molecular Weight: 388.5
- SMILES: CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3=C(C=C(C=C3F)CCC)F
- Monoisotopic Mass: 388.20025715
- Synonyms: 4-Butyl-4′-((2,6-difluoro-4-propylphenyl)ethynyl)-1,1′-biphenyl, 1229648-10-5, SCHEMBL15980421, MFCD34596831, BS-48791, F71385, 2-[2-[4-(4-butylphenyl)phenyl]ethynyl]-1,3-difluoro-5-propylbenzene
Application
This compound is primarily used in the development of liquid crystal materials for displays due to its rigid biphenyl core and fluorine-substituted aromatic system, which enhance thermal stability and optical properties. It also serves as a key intermediate in organic synthesis for pharmaceuticals and agrochemicals, particularly in constructing fluorinated scaffolds. Researchers leverage its ethynyl-bridged structure for designing conjugated polymers in organic electronics.
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