Description

1-[(3,4-Difluorophenyl)ethynyl]-4-ethylbenzene (CAS: 145698-43-7) is a high-purity organic compound with the molecular formula C₁₇H₁₄F₂. This specialty chemical features a unique structure combining a difluorophenyl ethynyl group with an ethylbenzene moiety, making it a valuable intermediate for advanced material synthesis and pharmaceutical research. With a molecular weight of 256.29 g/mol, this compound is characterized by its high stability and reactivity in cross-coupling reactions. It is supplied as a crystalline solid with ≥95% purity (HPLC), ensuring consistency for demanding applications. Proper storage at 2-8°C under inert atmosphere is recommended to maintain product integrity.

Properties

• CAS Number: 145698-43-7
• Complexity: 330
• IUPAC Name: 1,2-difluoro-4-[2-(4-propylphenyl)ethynyl]benzene
• InChI: InChI=1S/C17H14F2/c1-2-3-13-4-6-14(7-5-13)8-9-15-10-11-16(18)17(19)12-15/h4-7,10-12H,2-3H2,1H3
• InChI Key: ASODTPYHUHDTFO-UHFFFAOYSA-N
• Exact Mass: 256.10635677
• Molecular Formula: C17H14F2
• Molecular Weight: 256.29
• SMILES: CCCC1=CC=C(C=C1)C#CC2=CC(=C(C=C2)F)F
• Monoisotopic Mass: 256.10635677
• Synonyms: 145698-43-7, 1,2-difluoro-4-((4-propylphenyl)ethynyl)benzene, 1-[(3,4-DIFLUOROPHENYL)ETHYNYL]-4-ETHYLBENZENE, 1,2-DIFLUORO-4-[2-(4-PROPYLPHENYL)ETHYNYL]BENZENE, BENZENE, 1,2-DIFLUORO-4-[2-(4-PROPYLPHENYL)ETHYNYL]-, 1,2-Difluoro-4-[(4-propylphenyl)ethynyl]benzene, 1,2-difluoro-4-(2-(4-propylphenyl)ethynyl)benzene, 3PdFPa, Benzene, 1,2-difluoro-4-[(4-propylphenyl)ethynyl]-, SCHEMBL12736440, DTXSID60932676, ASODTPYHUHDTFO-UHFFFAOYSA-N, C17H14F2, AKOS024259096, DB-029468

Application

This compound serves as a key building block in the synthesis of liquid crystals and organic semiconductors due to its conjugated ethynyl bridge. Researchers utilize it in palladium-catalyzed coupling reactions to create extended π-systems for optoelectronic materials. The difluorophenyl moiety enhances thermal stability, making it valuable for high-performance material development. Pharmaceutical chemists employ it as a precursor in drug discovery programs targeting CNS disorders.

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