Description

[1,1′-Bicyclohexyl]-4-carbonitrile, 4′-propyl-, (trans,trans)- (CAS No. 65355-35-3) is a high-purity organic compound with the molecular formula C₁₆H₂₇N. This bicyclohexyl derivative features a propyl-substituted cyclohexyl ring and a nitrile functional group, making it a valuable intermediate in synthetic organic chemistry. Its trans,trans configuration ensures consistent stereochemical properties, critical for applications requiring precise molecular geometry. With a molecular weight of 233.40 g/mol, this compound is ideal for advanced research in liquid crystals, pharmaceuticals, and materials science. Available in >98% purity, it is supplied in rigorously tested batches to meet the stringent demands of researchers and industrial scientists.

Properties

• CAS Number: 65355-35-3
• Complexity: 258
• IUPAC Name: 4-(4-propylcyclohexyl)cyclohexanecarbonitrile
• InChI: InChI=1S/C16H27N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h13-16H,2-11H2,1H3
• InChI Key: GPKWICXATIXXQY-UHFFFAOYSA-N
• Exact Mass: 233.214349865
• Molecular Formula: C16H27N
• Molecular Weight: 233.39
• SMILES: CCCC1CCC(CC1)C2CCC(CC2)C#N
• Topological: 23.8
• Monoisotopic Mass: 233.214349865
• Synonyms: 65355-35-3, [1,1′-Bicyclohexyl]-4-carbonitrile, 4′-propyl-, (trans,trans)-, [trans(trans)]-4′-Propyl[1,1′-bicyclohexyl]-4-carbonitrile, EINECS 265-712-8, DTXSID1070305, 4-Propyl-trans, trans-bicyclohexyl-4′-carbonitrile, (1,1′-Bicyclohexyl)-4-carbonitrile, 4′-propyl-, (trans,trans)-, (trans(trans))-4′-Propyl(1,1′-bicyclohexyl)-4-carbonitrile, DTXCID3044592, 265-712-8, (trans,trans)-4′-Propyl[1,1′-bicyclohexyl]-4-carbonitrile, (trans,trans)-4′-Propyl-[1,1′-bi(cyclohexane)]-4-carbonitrile, 4-(4-propylcyclohexyl)cyclohexane-1-carbonitrile, MFCD00673707, trans,trans-4′-Propyl-bicyclohexyl-4-carbonitrile, (1R,1’S,4R,4’R)-4′-PROPYL-[1,1′-BI(CYCLOHEXANE)]-4-CARBONITRILE, TimTec1_008107, 4-propyl-4′-cyanobicyclohexane, SCHEMBL7775173, SCHEMBL9471258, SCHEMBL9477252, SCHEMBL9855556, HMS1557A11, AKOS000716376, AKOS032953778, AS-70292, SY317458, 4-(4′-n-propylcyclohexyl)-cyanocyclohexane, CS-0168520, NS00035863, (trans,trans)-4 inverted exclamation mark -Propyl-[1,1 inverted exclamation mark -bi(cyclohexane)]-4-carbonitrile

Application

This compound is primarily used as a key intermediate in the synthesis of liquid crystal materials, particularly for display technologies. Its rigid bicyclohexyl structure and nitrile group contribute to the stability and electro-optical properties of nematic phases. Researchers also explore its potential in pharmaceutical synthesis as a building block for bioactive molecules. Additionally, it serves as a model substrate in stereochemical studies due to its well-defined trans,trans configuration.

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