Atomfair [1,1′-Bicyclohexyl]-4-carboxylic acid, 4′-propyl-, 4-fluorophenyl ester C22H31FO2 CAS 81701-13-5

Description

[1,1′-Bicyclohexyl]-4-carboxylic acid, 4′-propyl-, 4-fluorophenyl ester (CAS: 81701-13-5) is a high-purity synthetic ester compound with the molecular formula C₂₂H₃₁FO₂. This specialized chemical features a bicyclohexyl core structure substituted with a propyl group and a 4-fluorophenyl ester moiety, offering unique steric and electronic properties. With an IUPAC name of (4-fluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate, this compound is characterized by its trans,trans configuration, which enhances its thermal stability and mesomorphic behavior. Available as a white to off-white crystalline powder with ≥95% purity (HPLC), it is packaged under inert gas to ensure stability. Ideal for advanced material research, this compound is particularly valuable in liquid crystal formulations, organic synthesis, and as a building block for complex molecular architectures. Store in a cool, dry place at 2-8°C, protected from light and moisture.

Properties

• CAS Number: 81701-13-5
• Complexity: 400
• IUPAC Name: (4-fluorophenyl) 4-(4-propylcyclohexyl)cyclohexanecarboxylate
• InChI: InChI=1S/C22H31FO2/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)22(24)25-21-14-12-20(23)13-15-21/h12-19H,2-11H2,1H3
• InChI Key: LIALNGUAWCANCX-UHFFFAOYSA-N
• Exact Mass: 346.23080839
• Molecular Formula: C22H31FO2
• Molecular Weight: 346.5
• SMILES: CCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)F
• Topological: 26.3
• Monoisotopic Mass: 346.23080839
• Synonyms: 81701-13-5, [1,1′-Bicyclohexyl]-4-carboxylic acid, 4′-propyl-, 4-fluorophenyl ester, trans,trans-4-fluorophenyl 4”-propylbicyclohexyl-4-carboxylate, (trans,trans)-4-Fluorophenyl 4′-propyl-[1,1′-bi(cyclohexane)]-4-carboxylate, (4-fluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate, TRANS,TRANS-4-FLUOROPHENYL 4′-PROPYLBICYCLOHEXYL-4-CARBOXYLATE, (1r,4r)-4-Fluorophenyl 4′-propyl-[1,1′-bi(cyclohexane)]-4-carboxylate, rel-4-Fluorophenyl (1r,1’s,4R,4’R)-4′-propyl-[1,1′-bi(cyclohexane)]-4-carboxylate, 3bcHCaAFP, SCHEMBL5352566, SCHEMBL5352569, SCHEMBL5352575, DTXSID30341554, AKOS015917844, AKOS032953580, DS-11810, CS-0059979, 4-fluorophenyl 4-(4-propylcyclohexyl)cyclohexanecarboxylate, 4-Fluorophenyl trans,trans-4′-n-propylbicyclohexyl-4-carboxylate, Trans-4-Fluorophenyl 4′-propyl-[1,1′-bi(cyclohexane)]-4-carboxylate, (trans,trans)-4-Fluorophenyl4′-propyl-[1,1′-bi(cyclohexane)]-4-carboxylate

Application

This compound serves as a key intermediate in the synthesis of advanced liquid crystal materials for display technologies, where its rigid bicyclohexyl structure and fluorinated ester group contribute to optimal dielectric anisotropy and thermal stability. Researchers utilize it in the development of novel mesogens for electro-optical devices and as a chiral dopant in ferroelectric liquid crystal systems. The fluorophenyl ester moiety makes it particularly valuable for creating materials with enhanced polarity and optical properties for photonic applications.

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