Cas no 62150-34-9 (1-n-Hexyl-4-iodobenzene)

1-n-Hexyl-4-iodobenzene is an organoiodine compound featuring a hexyl chain at the 1-position and an iodine substituent at the 4-position of the benzene ring. This compound is primarily utilized as an intermediate in organic synthesis, particularly in cross-coupling reactions such as Suzuki-Miyaura and Negishi couplings, where its iodine moiety serves as a reactive site for palladium-catalyzed transformations. The hexyl chain enhances solubility in nonpolar solvents, facilitating handling in various reaction conditions. Its well-defined structure and stability make it a reliable building block for constructing complex aromatic systems in pharmaceuticals, agrochemicals, and materials science applications. The compound is typically supplied with high purity to ensure consistent performance in synthetic workflows.
1-n-Hexyl-4-iodobenzene structure
1-n-Hexyl-4-iodobenzene structure
Product Name:1-n-Hexyl-4-iodobenzene
CAS No:62150-34-9
MF:C12H17I
MW:288.167855978012
CID:90168
PubChem ID:15001645
Update Time:2025-06-14

1-n-Hexyl-4-iodobenzene Chemical and Physical Properties

Names and Identifiers

    • 1-n-Hexyl-4-iodobenzene
    • 1-hexyl-4-iodoBenzene
    • 4-hexyliodobenzene
    • 4-n-hexyliodobenzene
    • Benzene,1-hexyl-4-iodo
    • MFCD07777097
    • AS-76522
    • CS-0100311
    • 62150-34-9
    • DTXSID00566777
    • AKOS027327466
    • Benzene, 1-hexyl-4-iodo-
    • D76098
    • SCHEMBL9850855
    • QCTCAMDTUGSMJX-UHFFFAOYSA-N
    • MDL: MFCD07777097
    • Inchi: 1S/C12H17I/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-6H2,1H3
    • InChI Key: QCTCAMDTUGSMJX-UHFFFAOYSA-N
    • SMILES: IC1C=CC(=CC=1)CCCCCC

Computed Properties

  • Exact Mass: 288.03700
  • Monoisotopic Mass: 288.03750g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 114
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Color/Form: Grayish yellow liquid.
  • Density: 1.369
  • Boiling Point: 122-125°C/3mm
  • Flash Point: 122-125°C/3mm
  • Refractive Index: 1.5530
  • PSA: 0.00000
  • LogP: 4.41400
  • Sensitiveness: Light Sensitive
  • Solubility: It is not miscible with water.

1-n-Hexyl-4-iodobenzene Customs Data

  • HS CODE:2903999090
  • Customs Data:

    China Customs Code:

    2903999090

    Overview:

    2903999090 Other aromatic halogenated derivatives. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

1-n-Hexyl-4-iodobenzene Pricemore >>

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Additional information on 1-n-Hexyl-4-iodobenzene

Recent Advances in the Application of 1-n-Hexyl-4-iodobenzene (CAS: 62150-34-9) in Chemical Biology and Pharmaceutical Research

1-n-Hexyl-4-iodobenzene (CAS: 62150-34-9) is a halogenated aromatic compound that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This compound serves as a key intermediate in the synthesis of various biologically active molecules, including potential drug candidates and diagnostic agents. The presence of the iodine atom at the para position of the benzene ring makes it a valuable building block for cross-coupling reactions, such as Suzuki-Miyaura and Heck reactions, which are widely used in medicinal chemistry.

Recent studies have explored the utility of 1-n-Hexyl-4-iodobenzene in the development of novel therapeutics. For instance, researchers have utilized this compound as a precursor in the synthesis of small-molecule inhibitors targeting protein-protein interactions (PPIs) involved in cancer progression. The hexyl side chain enhances the lipophilicity of the resulting compounds, improving their membrane permeability and bioavailability. Additionally, the iodine atom allows for further functionalization through palladium-catalyzed coupling reactions, enabling the rapid generation of diverse chemical libraries for high-throughput screening.

In the field of chemical biology, 1-n-Hexyl-4-iodobenzene has been employed as a molecular probe to study enzyme mechanisms and protein-ligand interactions. Its ability to undergo photoaffinity labeling makes it particularly useful for identifying binding sites and elucidating the molecular basis of drug action. Recent work has demonstrated its application in the development of activity-based probes (ABPs) for cysteine proteases, a class of enzymes implicated in various pathological conditions, including inflammation and neurodegenerative diseases.

Another emerging application of 1-n-Hexyl-4-iodobenzene is in the design of radiopharmaceuticals for positron emission tomography (PET) imaging. The iodine atom can be replaced with radioactive isotopes such as iodine-124 (124I), enabling the synthesis of radiotracers for non-invasive imaging of disease biomarkers. Recent preclinical studies have shown promising results in the use of 124I-labeled derivatives of 1-n-Hexyl-4-iodobenzene for the detection of tumor-associated antigens, highlighting its potential in personalized medicine.

Despite its promising applications, challenges remain in the large-scale synthesis and purification of 1-n-Hexyl-4-iodobenzene. Recent advances in flow chemistry and continuous manufacturing have addressed some of these issues, offering more efficient and scalable routes to this important building block. Furthermore, efforts are underway to develop greener synthetic methodologies that minimize the use of hazardous reagents and solvents, aligning with the principles of sustainable chemistry.

In conclusion, 1-n-Hexyl-4-iodobenzene (CAS: 62150-34-9) continues to play a pivotal role in advancing research in chemical biology and pharmaceutical sciences. Its unique structural features and versatile reactivity make it an indispensable tool for drug discovery, chemical probe development, and diagnostic imaging. Future research is expected to further expand its applications, particularly in the areas of targeted therapy and precision medicine.

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