Description

1-(trans-4-Butylcyclohexyl)-4-iodobenzene (CAS No. 948553-77-3) is a high-purity organic compound with the molecular formula C₁₆H₂₃I. This iodinated benzene derivative features a trans-4-butylcyclohexyl substituent, making it a valuable intermediate for advanced synthetic chemistry and materials science applications. Its well-defined structure and high reactivity due to the iodine moiety make it ideal for cross-coupling reactions, such as Suzuki-Miyaura or Heck reactions, in pharmaceutical and liquid crystal research. Available in various quantities, this compound is rigorously tested for purity and consistency, ensuring reliable performance in sensitive experiments. Suitable for researchers and industrial scientists seeking precision in organic synthesis and functional material development.

Properties

• CAS Number: 948553-77-3
• Complexity: 198
• IUPAC Name: 1-(4-butylcyclohexyl)-4-iodo-benzene
• InChI: InChI=1S/C16H23I/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15/h9-14H,2-8H2,1H3
• InChI Key: WSVCQFMWNNGAEB-UHFFFAOYSA-N
• Exact Mass: 342.08445
• Molecular Formula: C16H23I
• Molecular Weight: 342.26
• SMILES: CCCCC1CCC(CC1)C2=CC=C(C=C2)I
• Monoisotopic Mass: 342.08445
• Synonyms: 114834-79-6, 1-(trans-4-Butylcyclohexyl)-4-iodobenzene, 1-(trans-4-n-Butylcyclohexyl)-4-iodobenzene, 1-(4-butylcyclohexyl)-4-iodobenzene, Benzene, 1-(4-butylcyclohexyl)-4-iodo-, trans- (9CI), 948553-77-3, MFCD06658189, 1-((1s,4r)-4-Mutylcyclohexyl)-4-iodobenzene, C16H23I, DTXSID40670044, WSVCQFMWNNGAEB-UHFFFAOYSA-N, AKOS015842801, DS-12123, LS-14521, SY121333, DB-041234, trans-1-(4-Butylcyclohexyl)-4-iodobenzene, CS-0061471, W16922, Benzene,1-(4-butylcyclohexyl)-4-iodo-,trans-(9ci)

Application

1-(trans-4-Butylcyclohexyl)-4-iodobenzene is widely used as a key intermediate in the synthesis of liquid crystals for display technologies due to its stable cyclohexyl core and reactive iodine group. It serves as a versatile building block in palladium-catalyzed cross-coupling reactions to create complex organic frameworks for pharmaceuticals and advanced materials. Researchers also employ it in the development of optically active compounds and supramolecular architectures.

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