Description

2-Iodo-1,3-diisopropylbenzene (CAS No. 163704-47-0) is a high-purity aromatic organoiodine compound with the molecular formula C₁₂H₁₇I. This advanced intermediate features a benzene ring substituted with an iodine atom at the 2-position and isopropyl groups at the 1- and 3-positions, offering unique steric and electronic properties for synthetic applications. With a molecular weight of 288.17 g/mol, it is supplied as a stable, light-sensitive solid/liquid (state depends on storage conditions) requiring amber glass packaging under inert atmosphere. Ideal for cross-coupling reactions, ligand synthesis, and pharmaceutical building blocks, our product undergoes rigorous QC including GC/HPLC (>98% purity) and iodine content analysis. Special handling instructions: Store at 2-8°C under argon with moisture-proof seals.

Properties

• CAS Number: 163704-47-0
• Complexity: 135
• IUPAC Name: 2-iodo-1,3-diisopropyl-benzene
• InChI: InChI=1S/C12H17I/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,1-4H3
• InChI Key: AZYZPYVCTLOROS-UHFFFAOYSA-N
• Exact Mass: 288.03750
• Molecular Formula: C12H17I
• Molecular Weight: 288.17
• SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)I
• Monoisotopic Mass: 288.03750
• Synonyms: 163704-47-0, 2-Iodo-1,3-diisopropylbenzene, DTXSID30432936, DTXCID00383764, 2,6-Diisopropyliodobenzene, 2-iodo-1,3-di(propan-2-yl)benzene, Benzene, 2-iodo-1,3-bis(1-methylethyl)-, MFCD12547790, 1-iodo-2,6-diisopropylbenzene, 2, 6-diisopropylphenyl iodide, SCHEMBL2593118, AZYZPYVCTLOROS-UHFFFAOYSA-N, 2 pound not6-Diisopropyliodobenzene, AKOS016006717, CS-11653, DA-09573, SY027407, CS-0154313

Application

2-Iodo-1,3-diisopropylbenzene serves as a key precursor in palladium-catalyzed coupling reactions (e.g., Suzuki-Miyaura, Heck) due to its sterically hindered aryl iodide moiety. It is widely employed in the synthesis of chiral ligands for asymmetric catalysis and liquid crystal materials. Researchers utilize this compound to construct complex polyaromatic systems in materials science and pharmaceutical intermediates, particularly where bulky substituents are required to modulate molecular conformation.

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