Description

trans-4′-(p-tolyl)-[1,1′-Bi(cyclohexan)]-4-one (CAS No. 125962-80-3) is a high-purity organic compound with the molecular formula C₁₉H₂₆O, widely utilized in advanced chemical research and pharmaceutical development. This bicyclohexyl derivative features a trans-configuration and a p-tolyl substituent, making it a valuable intermediate for synthesizing complex molecules. Its IUPAC name, 4-[4-(4-methylphenyl)cyclohexyl]cyclohexan-1-one, reflects its precise structural configuration. With a molecular weight of 270.41 g/mol, this compound is supplied as a crystalline solid with >95% purity, verified by HPLC and NMR. Ideal for researchers exploring liquid crystals, asymmetric catalysis, or medicinal chemistry, it is packaged under inert conditions to ensure stability and longevity. Store in a cool, dry place away from light.

Properties

• CAS Number: 125962-80-3
• Complexity: 309
• IUPAC Name: 4-[4-(p-tolyl)cyclohexyl]cyclohexanone
• InChI: InChI=1S/C19H26O/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-12-19(20)13-11-18/h2-5,16-18H,6-13H2,1H3
• InChI Key: KPISRXVEAOLMIF-UHFFFAOYSA-N
• Exact Mass: 270.198365449
• Molecular Formula: C19H26O
• Molecular Weight: 270.4
• SMILES: CC1=CC=C(C=C1)C2CCC(CC2)C3CCC(=O)CC3
• Topological: 17.1
• Monoisotopic Mass: 270.198365449
• Synonyms: 125962-80-3, trans-4′-(p-tolyl)-[1,1′-Bi(cyclohexan)]-4-one, [1,1′-Bicyclohexyl]-4-one, 4′-(4-methylphenyl)-, trans-, 4-[4-(4-methylphenyl)cyclohexyl]cyclohexan-1-one, MFCD30187299, SCHEMBL18251909, DTXSID40703109, KPISRXVEAOLMIF-UHFFFAOYSA-N, AKOS015916564, AKOS027460702, DS-19155, DB-112831, CS-0160300, T3465, (1’r,4’r)-4′-(4-Methylphenyl)[1,1′-bi(cyclohexyl)]-4-one, 1246646-13-8

Application

trans-4′-(p-tolyl)-[1,1′-Bi(cyclohexan)]-4-one serves as a key intermediate in the synthesis of liquid crystalline materials due to its rigid bicyclohexyl core. Researchers employ it in asymmetric catalysis and chiral ligand design for stereoselective reactions. Its structural motifs are also explored in pharmaceutical R&D for drug candidate optimization.

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