Description

Cyclohexanecarboxylic acid, 4-propyl-, 4-cyanophenyl ester, trans- (CAS: 62439-33-2) is a high-purity organic compound with the molecular formula C₁₇H₂₁NO₂. This ester derivative features a trans-4-propylcyclohexanecarboxylate group linked to a 4-cyanophenyl moiety, making it a valuable intermediate for advanced chemical synthesis and materials research. Its rigid cyclohexane backbone and polar cyano group enhance its utility in liquid crystal formulations, polymer additives, and pharmaceutical applications. Available in >98% purity by HPLC, this compound is supplied as a white crystalline powder with excellent stability under standard storage conditions. Ideal for researchers in organic chemistry, materials science, and drug development seeking precise structural control.

Properties

• CAS Number: 62439-33-2
• Complexity: 354
• IUPAC Name: (4-cyanophenyl) 4-propylcyclohexanecarboxylate
• InChI: InChI=1S/C17H21NO2/c1-2-3-13-4-8-15(9-5-13)17(19)20-16-10-6-14(12-18)7-11-16/h6-7,10-11,13,15H,2-5,8-9H2,1H3
• InChI Key: LXVTVIQMKOLVSY-UHFFFAOYSA-N
• Exact Mass: 271.157228913
• Molecular Formula: C17H21NO2
• Molecular Weight: 271.35
• SMILES: CCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C#N
• Topological: 50.1
• Monoisotopic Mass: 271.157228913
• Synonyms: 62439-33-2, 4-Cyanophenyl trans-4-propylcyclohexanecarboxylate, Cyclohexanecarboxylic acid, 4-propyl-, 4-cyanophenyl ester, trans-, 4-Cyanophenyl 4-propylcyclohexanecarboxylate, trans-4-Cyanophenyl 4-propylcyclohexanecarboxylate, (4-cyanophenyl) 4-propylcyclohexane-1-carboxylate, 70443-55-9, 4-Cyanophenyl trans-4-n-propylcyclohexanecarboxylate, p-Cyanophenyl trans-4-propylcyclohexanecarboxylate, EINECS 263-542-9, 3cHCaACP, MFCD09750936, trans-4-Propylcyclohexanecarboxylic acid, 4-cyanophenyl ester, SCHEMBL2827046, SCHEMBL8054184, LXVTVIQMKOLVSY-UHFFFAOYSA-, DTXSID10886170, LXVTVIQMKOLVSY-UHFFFAOYSA-N, AKOS015917980, AS-83595, 4-Cyanophenyl4-propylcyclohexanecarboxylate, NS00056395, 4-Cyanophenyl 4-propylcyclohexanecarboxylate #, 4-CYANOPHENYL 4-PROPYLCYCLOHEXANE-1-CARBOXYLATE, InChI=1/C17H21NO2/c1-2-3-13-4-8-15(9-5-13)17(19)20-16-10-6-14(12-18)7-11-16/h6-7,10-11,13,15H,2-5,8-9H2,1H3

This compound serves as a key building block for liquid crystal displays (LCDs) due to its stable mesomorphic properties. Researchers utilize it in the development of advanced optical materials and electro-optical devices. It also finds application as a chiral dopant in LC mixtures and as a monomer for specialty polymers requiring high thermal stability.

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