Description

4-(trans-4-Ethylcyclohexyl)cyclohexylmethyl methanesulfonate (CAS No. 819862-02-7) is a high-purity organic compound with the molecular formula C₁₆H₃₀O₃S. This specialized chemical features a methanesulfonate ester group attached to a bi(cyclohexyl) scaffold with an ethyl substituent, offering unique steric and electronic properties for advanced synthetic applications. The trans configuration of both cyclohexyl rings ensures optimal molecular rigidity, making this compound particularly valuable for liquid crystal research, pharmaceutical intermediates, and materials science. Available in >98% purity by HPLC, this product is rigorously tested for consistency and stability, with detailed technical data (NMR, MS, FTIR) provided for verification. Packaged under inert gas to prevent degradation, it is ideal for sensitive organic transformations and structure-activity relationship studies.

Properties

• CAS Number: 819862-02-7
• Complexity: 369
• IUPAC Name: [4-(4-ethylcyclohexyl)cyclohexyl]methyl methanesulfonate
• InChI: InChI=1S/C16H30O3S/c1-3-13-4-8-15(9-5-13)16-10-6-14(7-11-16)12-19-20(2,17)18/h13-16H,3-12H2,1-2H3
• InChI Key: LFXKRYWBECCVGY-UHFFFAOYSA-N
• Exact Mass: 302.19156599
• Molecular Formula: C16H30O3S
• Molecular Weight: 302.5
• SMILES: CCC1CCC(CC1)C2CCC(CC2)COS(=O)(=O)C
• Topological: 51.8
• Monoisotopic Mass: 302.19156599
• Synonyms: Rel-((1r,1’r,4R,4’R)-4′-ethyl-[1,1′-bi(cyclohexan)]-4-yl)methyl methanesulfonate, 819862-02-7, SCHEMBL2907078, SCHEMBL2907079, SCHEMBL2907082, LFXKRYWBECCVGY-OIBGERBOSA-N, 4-(trans-4-ethylcyclohexyl)cyclohexylmethyl methanesulfonate

Application

This compound serves as a key intermediate in the synthesis of liquid crystal materials for display technologies, where its rigid bi(cyclohexyl) core enhances thermal stability. Researchers utilize its methanesulfonate group as a versatile leaving group in nucleophilic substitution reactions to construct complex molecular architectures. It has shown promise in pharmaceutical development for creating constrained analogs of bioactive molecules.

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