Description
1-(Trans-4-ethylcyclohexyl)-4-iodobenzene (CAS No. 918826-31-0) is a high-purity organic compound with the molecular formula C14H19I. This iodinated aromatic derivative features a trans-4-ethylcyclohexyl group, making it a valuable intermediate in synthetic organic chemistry and materials science. Its well-defined structure and iodine substituent render it suitable for cross-coupling reactions, such as Suzuki-Miyaura or Ullmann-type couplings, enabling the synthesis of complex molecules. With a molecular weight of 314.21 g/mol, this compound is supplied as a crystalline solid with >95% purity (HPLC), ensuring consistency for research applications. Ideal for use in liquid crystal synthesis, pharmaceutical intermediates, or as a building block in advanced material design.
Properties
- CAS Number: 918826-31-0
- Complexity: 174
- IUPAC Name: 1-(4-ethylcyclohexyl)-4-iodo-benzene
- InChI: InChI=1S/C14H19I/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h7-12H,2-6H2,1H3
- InChI Key: HPXJRPSRURQYCC-UHFFFAOYSA-N
- Exact Mass: 314.05315
- Molecular Formula: C14H19I
- Molecular Weight: 314.20
- SMILES: CCC1CCC(CC1)C2=CC=C(C=C2)I
- Monoisotopic Mass: 314.05315
- Synonyms: 1-(Trans-4-ethylcyclohexyl)-4-iodobenzene, 918826-32-1, 1-(4-ethylcyclohexyl)-4-iodobenzene, 918826-31-0, 4-(4-ethylcyclohexyl)iodobenzene, 4-trans(4-ethyl cyclohexyl) iodobenzene, SCHEMBL12462974, HPXJRPSRURQYCC-UHFFFAOYSA-N, 4-(4′-Ethylcyclohexyl)iodobenzene, AKOS015888922, DB-024668, CS-0435334
Application
1-(Trans-4-ethylcyclohexyl)-4-iodobenzene is widely employed as a key intermediate in the synthesis of liquid crystalline materials due to its rigid cyclohexyl core and reactive iodine moiety. Researchers utilize it in palladium-catalyzed cross-coupling reactions to construct extended aromatic systems for optoelectronic applications. It also serves as a precursor in pharmaceutical research for developing structurally diverse bioactive compounds. Its stability and reactivity make it suitable for exploratory organic synthesis in academic and industrial settings.
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