Description

trans-4′-(3,4-Difluorophenyl)-[1,1′-bi(cyclohexan)]-4-one (CAS No. 147622-85-3) is a high-purity organic compound with the molecular formula C₁₈H₂₂F₂O. This bicyclohexyl derivative features a trans-configuration and a 3,4-difluorophenyl substituent, making it a valuable intermediate in pharmaceutical and materials science research. Its IUPAC name, 4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexan-1-one, reflects its precise structural configuration. With a molecular weight of 292.37 g/mol, this compound is supplied as a white to off-white crystalline powder, ensuring consistent quality for advanced synthetic applications. It is ideal for use in cross-coupling reactions, ligand synthesis, and as a building block for liquid crystal materials. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 147622-85-3
• Complexity: 352
• IUPAC Name: 4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexanone
• InChI: InChI=1S/C18H22F2O/c19-17-10-7-15(11-18(17)20)14-3-1-12(2-4-14)13-5-8-16(21)9-6-13/h7,10-14H,1-6,8-9H2
• InChI Key: IUJMYVYPSSBPCX-UHFFFAOYSA-N
• Exact Mass: 292.16387165
• Molecular Formula: C18H22F2O
• Molecular Weight: 292.4
• SMILES: C1CC(CCC1C2CCC(=O)CC2)C3=CC(=C(C=C3)F)F
• Topological: 17.1
• Monoisotopic Mass: 292.16387165
• Synonyms: 147622-85-3, trans-4′-(3,4-Difluorophenyl)-[1,1′-bi(cyclohexan)]-4-one, 4-[4-trans-(3,4-Diflourphenyl)-cyclohexyl]-cyclohexanon, trans-4′-(3,4-Difluorophenyl)bicyclohexyl-4-one, MFCD26143179, 167948-98-3, 4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexan-1-one, 4′-(3,4-Difluorophenyl)bi(cyclohexan)-4-one, 4′-(3,4-Difluorophenyl)-1,1′-Bi(Cyclohexyl)-4-One, (1’r,4’r)-4′-(3,4-difluorophenyl)-[1,1′-bi(cyclohexane)]-4-one, IUJMYVYPSSBPCX-UHFFFAOYSA-N, SCHEMBL7775189, SCHEMBL7775191, IUJMYVYPSSBPCX-MQMHXKEQSA-N, DTXSID001020942, DTXSID301035992, AKOS027460714, DS-19161, SY056304, CS-0060076, D4911, N10775, trans-4′-(3,4-Difluorophenyl)bi(cyclohexan)-4-one, 4′-(3,4-Difluorophenyl)-[1,1′-bi(cyclohexan)]-4-one, trans-4′-(3,4-Difluorophenyl)[1,1′-bicyclohexyl]-4-one, [1,a1′-aBicyclohexyl]a-a4-aone, 4′-a(3,a4-adifluorophenyl)a-, trans-4a(2)-(3,4-Difluorophenyl)[1,1a(2)-bicyclohexyl]-4-one, trans-4 inverted exclamation mark -(3,4-Difluorophenyl)-[1,1 inverted exclamation mark -bi(cyclohexan)]-4-one

Application

This compound serves as a key intermediate in the synthesis of liquid crystalline materials due to its rigid bicyclohexyl core and fluorine-substituted aromatic ring. Researchers utilize it in the development of advanced organic electronic materials and pharmaceutical active ingredients. Its trans-configuration and fluorinated phenyl group make it suitable for studying structure-activity relationships in medicinal chemistry.

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