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Atomfair trans-4-Cyano-3-fluorophenyl 4-butylcyclohexanecarboxylate C18H22FNO2 CAS 90525-58-9

trans-4-Cyano-3-fluorophenyl 4-butylcyclohexanecarboxylate (CAS No. 90525-58-9) is a high-purity synthetic ester compound with the molecular formula C18H22FNO2. This specialized chemical features a trans-configuration cyclohexane core substituted with a butyl group and esterified with a fluorinated cyanophenyl moiety, making it a valuable intermediate for advanced organic synthesis and materials science applications. The compound is characterized by its high thermal stability and compatibility with a range of organic solvents, including DMF, THF, and dichloromethane. Each batch is rigorously analyzed by HPLC and GC to ensure ≥98% purity, with detailed certificates of analysis available upon request. Suitable for research in liquid crystal development, pharmaceutical…

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Description

trans-4-Cyano-3-fluorophenyl 4-butylcyclohexanecarboxylate (CAS No. 90525-58-9) is a high-purity synthetic ester compound with the molecular formula C18H22FNO2. This specialized chemical features a trans-configuration cyclohexane core substituted with a butyl group and esterified with a fluorinated cyanophenyl moiety, making it a valuable intermediate for advanced organic synthesis and materials science applications. The compound is characterized by its high thermal stability and compatibility with a range of organic solvents, including DMF, THF, and dichloromethane. Each batch is rigorously analyzed by HPLC and GC to ensure ≥98% purity, with detailed certificates of analysis available upon request. Suitable for research in liquid crystal development, pharmaceutical intermediates, and functional material synthesis. Packaged under inert gas in amber glass vials to ensure stability during shipping and storage.

Properties

  • CAS Number: 90525-58-9
  • Complexity: 409
  • IUPAC Name: (4-cyano-3-fluoro-phenyl) 4-butylcyclohexanecarboxylate
  • InChI: InChI=1S/C18H22FNO2/c1-2-3-4-13-5-7-14(8-6-13)18(21)22-16-10-9-15(12-20)17(19)11-16/h9-11,13-14H,2-8H2,1H3
  • InChI Key: ZELJAGIJMDOIML-UHFFFAOYSA-N
  • Exact Mass: 303.16345711
  • Molecular Formula: C18H22FNO2
  • Molecular Weight: 303.4
  • SMILES: CCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#N)F
  • Topological: 50.1
  • Monoisotopic Mass: 303.16345711
  • Synonyms: 90525-58-9, trans-4-Cyano-3-fluorophenyl 4-butylcyclohexanecarboxylate, SCHEMBL8530476, SCHEMBL8530478, SCHEMBL20152461, ZELJAGIJMDOIML-UHFFFAOYSA-N, trans-4-Cyano-3-fluorophenyl4-butylcyclohexanecarboxylate

Application

This compound serves as a key intermediate in the synthesis of advanced liquid crystal materials for display technologies due to its stable mesogenic core and polarizable cyano/fluoro substituents. Researchers utilize it in the development of novel pharmaceutical candidates targeting CNS disorders, leveraging its ability to cross the blood-brain barrier. The fluorinated aromatic moiety also makes it valuable for PET radiotracer development in medical imaging applications.

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Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • 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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  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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