Description

The (trans,trans)-3,4-Difluorophenyl 4′-propyl-[1,1′-bi(cyclohexane)]-4-carboxylate (CAS No. 94840-77-4) is a high-purity organic compound with the molecular formula C₂₂H₃₀F₂O₂. This bicyclohexyl derivative features a 3,4-difluorophenyl ester group and a propyl-substituted cyclohexyl moiety, making it a valuable intermediate for advanced chemical synthesis and material science research. Its trans,trans configuration ensures consistent stereochemical properties, critical for applications requiring precise molecular geometry. This compound is supplied with comprehensive analytical data, including HPLC purity, NMR, and mass spectrometry results, to guarantee quality and reproducibility for researchers. Ideal for use in liquid crystal development, pharmaceutical intermediates, and specialty organic synthesis.

Properties

• CAS Number: 94840-77-4
• Complexity: 439
• IUPAC Name: (3,4-difluorophenyl) 4-(4-propylcyclohexyl)cyclohexanecarboxylate
• InChI: InChI=1S/C22H30F2O2/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)22(25)26-19-12-13-20(23)21(24)14-19/h12-18H,2-11H2,1H3
• InChI Key: SJQNBUFTRYMKET-UHFFFAOYSA-N
• Exact Mass: 364.22138652
• Molecular Formula: C22H30F2O2
• Molecular Weight: 364.5
• SMILES: CCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)F)F
• Topological: 26.3
• Monoisotopic Mass: 364.22138652
• Synonyms: 94840-77-4, (trans,trans)-3,4-Difluorophenyl 4′-propyl-[1,1′-bi(cyclohexane)]-4-carboxylate, [1,1′-Bicyclohexyl]-4-carboxylic acid, 4′-propyl-, 3,4-difluorophenyl ester,(trans,trans)-, (3,4-difluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate, [1,1-Bicyclohexyl]-4-carboxylic acid, 4-propyl-,3,4-difluorophenyl ester, [trans,trans], 3bcHCaAdFP, SCHEMBL7507788, SCHEMBL8456381, SCHEMBL8456385, SJQNBUFTRYMKET-UHFFFAOYSA-N, AKOS032953584, SB66932, DS-19166, CS-0059653, F16504, 3,4-difluorophenyl 4-(4-propylcyclohexyl)cyclohexanecarboxylate, (trans,trans)-3,4-Difluorophenyl4′-propyl-[1,1′-bi(cyclohexane)]-4-carboxylate, [1,1′-Bicyclohexyl]-4-carboxylic acid, 4′-propyl-,3,4-difluorophenyl esteR, [tranS,trans], [1,1′-Bicyclohexyl]-4-carboxylic acid,4′-propyl-,3,4-difluorophenyl ester,[trans,trans]

Application

This compound is primarily used as a key intermediate in the synthesis of advanced liquid crystal materials, particularly for display technologies requiring high thermal stability and low viscosity. It also serves as a building block in pharmaceutical research for the development of novel bioactive molecules with fluorinated aromatic motifs. Researchers utilize its rigid bicyclohexyl core to study structure-activity relationships in mesogenic compounds.

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