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Atomfair Rel-((1r,1’s,4R,4’R)-4′-propyl-[1,1′-bi(cyclohexan)]-4-yl)methyl methanesulfonate C17H32O3S CAS 1215227-72-7

Rel-((1r,1’s,4R,4’R)-4′-propyl-[1,1′-bi(cyclohexan)]-4-yl)methyl methanesulfonate (CAS No. 1215227-72-7) is a high-purity, stereochemically defined organic compound with the molecular formula C17H32O3S . This methanesulfonate derivative features a rigid bicyclohexyl backbone with a propyl substituent, offering unique steric and electronic properties for advanced synthetic applications. The compound is supplied as a white to off-white crystalline solid with ≥95% purity (HPLC), ideal for use as a chiral building block in pharmaceutical research, asymmetric synthesis, and materials science. Its IUPAC name is [4-(4-propylcyclohexyl)cyclohexyl]methyl methanesulfonate , and it is also known by the synonyms SCHEMBL16488190. Proper storage at 2-8°C under inert atmosphere is recommended to maintain stability.

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Description

Rel-((1r,1’s,4R,4’R)-4′-propyl-[1,1′-bi(cyclohexan)]-4-yl)methyl methanesulfonate (CAS No. 1215227-72-7) is a high-purity, stereochemically defined organic compound with the molecular formula C17H32O3S. This methanesulfonate derivative features a rigid bicyclohexyl backbone with a propyl substituent, offering unique steric and electronic properties for advanced synthetic applications. The compound is supplied as a white to off-white crystalline solid with ≥95% purity (HPLC), ideal for use as a chiral building block in pharmaceutical research, asymmetric synthesis, and materials science. Its IUPAC name is [4-(4-propylcyclohexyl)cyclohexyl]methyl methanesulfonate, and it is also known by the synonyms SCHEMBL16488190. Proper storage at 2-8°C under inert atmosphere is recommended to maintain stability.

Properties

  • CAS Number: 1215227-72-7
  • Complexity: 383
  • IUPAC Name: [4-(4-propylcyclohexyl)cyclohexyl]methyl methanesulfonate
  • InChI: InChI=1S/C17H32O3S/c1-3-4-14-5-9-16(10-6-14)17-11-7-15(8-12-17)13-20-21(2,18)19/h14-17H,3-13H2,1-2H3
  • InChI Key: ISJRJYGWXKNBPI-UHFFFAOYSA-N
  • Exact Mass: 316.20721605
  • Molecular Formula: C17H32O3S
  • Molecular Weight: 316.5
  • SMILES: CCCC1CCC(CC1)C2CCC(CC2)COS(=O)(=O)C
  • Topological: 51.8
  • Monoisotopic Mass: 316.20721605
  • Synonyms: Rel-((1r,1’s,4R,4’R)-4′-propyl-[1,1′-bi(cyclohexan)]-4-yl)methyl methanesulfonate, 1215227-72-7, SCHEMBL16488190

Application

This stereospecific methanesulfonate ester serves as a valuable intermediate in the synthesis of chiral liquid crystals and sterically constrained pharmacophores. Researchers utilize its rigid bicyclic structure to induce axial chirality in complex organic molecules. The compound finds particular utility in medicinal chemistry for the development of CNS-targeting therapeutics due to its ability to enhance blood-brain barrier penetration. Its mesylate group provides an excellent leaving group for nucleophilic substitution reactions in asymmetric synthesis.

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Disclaimer

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  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

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