Description

(trans,trans)-3,4,5-Trifluorophenyl 4′-propyl-[1,1′-bi(cyclohexane)]-4-carboxylate (CAS No. 132123-45-6) is a high-purity fluorinated ester compound with the molecular formula C₂₂H₂₉F₃O₂. This advanced organic intermediate features a rigid bicyclohexyl backbone substituted with a propyl group and a 3,4,5-trifluorophenyl ester moiety, offering unique steric and electronic properties. The trans,trans configuration ensures optimal molecular alignment for applications requiring precise structural control. Supplied as a white to off-white crystalline solid with ≥95% purity (HPLC), this compound is ideal for liquid crystal research, organic synthesis, and advanced material development. Packaged under inert gas to ensure stability, each batch undergoes rigorous QC testing including NMR, HPLC, and MS analysis to guarantee consistency.

Properties

• CAS Number: 132123-45-6
• Complexity: 458
• IUPAC Name: (3,4,5-trifluorophenyl) 4-(4-propylcyclohexyl)cyclohexanecarboxylate
• InChI: InChI=1S/C22H29F3O2/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)22(26)27-18-12-19(23)21(25)20(24)13-18/h12-17H,2-11H2,1H3
• InChI Key: SDAWLPKKYZMFEM-UHFFFAOYSA-N
• Exact Mass: 382.21196465
• Molecular Formula: C22H29F3O2
• Molecular Weight: 382.5
• SMILES: CCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC(=C(C(=C3)F)F)F
• Topological: 26.3
• Monoisotopic Mass: 382.21196465
• Synonyms: 132123-45-6, (trans,trans)-3,4,5-Trifluorophenyl 4′-propyl-[1,1′-bi(cyclohexane)]-4-carboxylate, (3,4,5-trifluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate, [1,1′-Bicyclohexyl]-4-carboxylic acid, 4′-propyl-, 3,4,5-trifluorophenyl ester, (trans,trans)-, TRANS,TRANS-3,4,5-TRIFLUOROPHENYL 4′-PROPYLBICYCLOHEXYL-4-CARBOXYLATE, 3,4,5-Trifluorophenyl trans,trans-4′-Propylbicyclohexyl-4-carboxylate, (1r,1’s,4R,4’R)-3,4,5-Trifluorophenyl 4′-propyl-[1,1′-bi(cyclohexane)]-4-carboxylate, SDAWLPKKYZMFEM-UHFFFAOYSA-N, 3bcHCaAtFP, MFCD11053486, SCHEMBL6748513, SCHEMBL7521465, SCHEMBL8078007, SCHEMBL8078011, DTXSID50471226, AKOS024259113, AKOS024462656, SB66971, trans,trans-4′-Propyl-bicyclohexyl-4-carboxylic acid 3,4,5-trifluoro-phenyl ester, DS-15676, CS-0059652, NS00024189, T3756, 3,4,5-trifluorophenyl 4-(4-propylcyclohexyl)cyclohexanecarboxylate, 3,4,5-Trifluorophenyl 4′-propyl[1,1′-bi(cyclohexane)]-4-carboxylate, (trans,trans)-3,4,5-Trifluorophenyl4′-propyl-[1,1′-bi(cyclohexane)]-4-carboxylate, (Trans,Trans)-3,4,5-Trifluorophenyl 4 inverted exclamation mark -Propyl-[1,1 inverted exclamation mark -Bi(Cyclohexane)]-4-Carboxylate, trans,trans-3,4,5-Trifluorophenyl 4 inverted exclamation marka-propylbicyclohexyl-4-carboxylate

Application

This compound serves as a key intermediate in the synthesis of advanced liquid crystal materials for display technologies, where its fluorinated aromatic group enhances dielectric anisotropy. Researchers utilize it to develop low-viscosity, high-stability nematic mixtures for next-generation LCD devices. The rigid bicyclohexyl core makes it particularly valuable for creating materials with wide temperature range mesophases.

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