Description

1,1′-Bicyclohexyl, 4-pentyl-4′-[4-(trifluoromethoxy)phenyl]- (CAS No. 133914-49-5) is a high-purity organic compound with the molecular formula C₂₄H₃₅F₃O. This bicyclohexyl derivative features a pentyl chain and a trifluoromethoxyphenyl group, offering unique steric and electronic properties for advanced research applications. Its IUPAC name is 1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene, and it is available in various isomeric forms, including the rel-(1s,1’r,4R,4’R) configuration. This compound is ideal for liquid crystal research, organic synthesis, and material science due to its rigid bicyclic structure and fluorinated aromatic moiety. Packaged under inert conditions to ensure stability, it is characterized by HPLC, NMR, and mass spectrometry for guaranteed quality.

Properties

• CAS Number: 133914-49-5
• Complexity: 426
• IUPAC Name: 1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene
• InChI: InChI=1S/C24H35F3O/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(17-15-22)28-24(25,26)27/h14-21H,2-13H2,1H3
• InChI Key: CEYKVAXXLKVHOH-UHFFFAOYSA-N
• Exact Mass: 396.26400022
• Molecular Formula: C24H35F3O
• Molecular Weight: 396.5
• SMILES: CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)OC(F)(F)F
• Topological: 9.2
• Monoisotopic Mass: 396.26400022
• Synonyms: 133914-49-5, 1,1′-Bicyclohexyl, 4-pentyl-4′-[4-(trifluoromethoxy)phenyl]-, 1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene, Benzene, 1-[(trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-yl]-4-(trifluoromethoxy)-, Rel-(1s,1’r,4R,4’R)-4-pentyl-4′-(4-(trifluoromethoxy)phenyl)-1,1′-bi(cyclohexane), Benzene,1-ethyl-4-[2-[4-(trans-4-pentylcyclohexyl)phenyl]ethynyl]-, tFMeO-5bcHP, SCHEMBL3437355, SCHEMBL5352855, SCHEMBL5352864, DTXSID201136660, MFCD22125159, AKOS040767601, BS-47546, F71401, 4-n-Pentyl-4′-[4-(trifluoromethoxy)phenyl]bicyclohexyl, 4-pentyl-4′-[4-(trifluoromethoxy)phenyl]-1,1′-Bicyclohexyl, Benzene, 4-(4′-pentyl[1,1′-bicyclohexyl]-4-yl)-1-(trifluoromethoxy)-, 1-[(trans,trans)-4a(2)-Pentyl[1,1a(2)-bicyclohexyl]-4-yl]-4-(trifluoromethoxy)benzene, Benzene, 1-[(trans,trans)-4 inverted exclamation marka-pentyl[1,1 inverted exclamation marka-bicyclohexyl]-4-yl]-4-(trifluoromethoxy)-

Application

This compound is primarily used in the development of advanced liquid crystal materials, where its bicyclohexyl core and fluorinated aromatic group enhance thermal stability and mesophase behavior. It serves as a key intermediate in organic synthesis for pharmaceuticals and agrochemicals due to its sterically hindered structure. Researchers also employ it in material science for designing fluorinated polymers with tailored dielectric properties.

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