Cas no 41284-92-8 (5-iodophthalide)

5-Iodophthalide is a halogenated phthalide derivative characterized by the presence of an iodine substituent at the 5-position of the phthalide scaffold. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and functional materials. Its iodine moiety enhances reactivity in cross-coupling reactions, such as Suzuki or Sonogashira couplings, enabling efficient derivatization. The electron-withdrawing nature of the iodine atom also facilitates electrophilic substitution reactions. 5-Iodophthalide exhibits stability under standard conditions, ensuring ease of handling and storage. Its well-defined structure and reactivity make it a valuable building block for constructing complex heterocyclic systems and fine-tuning molecular properties in research and industrial applications.
5-iodophthalide structure
5-iodophthalide structure
Product Name:5-iodophthalide
CAS No:41284-92-8
MF:C8H5IO2
MW:260.028574705124
CID:926821
PubChem ID:13624113
Update Time:2025-11-02

5-iodophthalide Chemical and Physical Properties

Names and Identifiers

    • 5-iodophthalide
    • 5-iodo-3H-2-benzofuran-1-one
    • 1(3H)-Isobenzofuranone,5-iodo
    • 5-iodanyl-3H-2-benzofuran-1-one
    • 5-iodo-2-benzofuran-1(3H)-one
    • 5-iodo-3H-isobenzofuran-1-one
    • 5-iodo-phthalide
    • 5-Jod-phthalid
    • A825502
    • 5-iodoisobenzofuran-1(3H)-one
    • 5-iodo-1,3-dihydro-2-benzofuran-1-one
    • DTXSID00545264
    • 1(3H)-Isobenzofuranone, 5-iodo-
    • AKOS015853683
    • G10953
    • 41284-92-8
    • SCHEMBL4166245
    • Inchi: 1S/C8H5IO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4H2
    • InChI Key: CQAKANQMFXBJJQ-UHFFFAOYSA-N
    • SMILES: IC1C=CC2C(=O)OCC=2C=1

Computed Properties

  • Exact Mass: 259.93300
  • Monoisotopic Mass: 259.93343g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 181
  • 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
  • XLogP3: 1.5
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 2.029
  • Boiling Point: 397.4 °C at 760 mmHg
  • Flash Point: 194.1 °C
  • PSA: 26.30000
  • LogP: 1.96160

5-iodophthalide Pricemore >>

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5-iodophthalide Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:41284-92-8)5-iodophthalide
Order Number:A825502
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:10
Price ($):430.0

Additional information on 5-iodophthalide

5-Iodophthalide (CAS No. 41284-92-8): Properties, Applications, and Market Insights

5-Iodophthalide (CAS No. 41284-92-8) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This iodinated derivative of phthalide exhibits unique properties that make it valuable in synthetic chemistry and drug development. With the growing demand for halogenated compounds in medicinal chemistry, 5-iodophthalide synthesis and applications have become a hot topic among researchers.

The molecular structure of 5-iodophthalide features an iodine atom at the 5-position of the phthalide ring system, which significantly influences its reactivity. This iodo-substituted heterocycle serves as a versatile building block in organic synthesis, particularly for creating complex molecules with potential biological activity. Recent studies highlight its role in developing pharmaceutical intermediates, especially in the synthesis of compounds targeting neurological disorders.

From a chemical perspective, 5-iodophthalide properties include moderate solubility in organic solvents and stability under standard conditions. Its melting point typically ranges between 120-125°C, making it suitable for various synthetic applications. The presence of the iodine atom offers unique opportunities for further functionalization through cross-coupling reactions, a feature that has made 5-iodophthalide derivatives particularly interesting in modern drug discovery programs.

In pharmaceutical applications, researchers are exploring 5-iodophthalide uses as a precursor for active pharmaceutical ingredients (APIs). The compound's ability to undergo various transformations makes it valuable for creating libraries of potential drug candidates. Current research focuses on its potential in developing treatments for conditions like anxiety and depression, aligning with the growing interest in neuroactive compounds and mental health therapeutics.

The market for 5-iodophthalide suppliers has seen steady growth, driven by increasing R&D activities in pharmaceutical companies. Quality specifications for research-grade 5-iodophthalide CAS 41284-92-8 typically require ≥98% purity, with stringent controls on impurities. Pricing trends show moderate fluctuations based on raw material availability and demand from the pharmaceutical sector.

From a synthetic chemistry standpoint, 5-iodophthalide reactions offer numerous possibilities. The compound readily participates in palladium-catalyzed cross-couplings, nucleophilic substitutions, and other transformations that are fundamental to modern organic synthesis. These characteristics make it particularly valuable in the development of structure-activity relationship studies during drug discovery phases.

Environmental and safety considerations for 5-iodophthalide handling follow standard laboratory protocols for organic compounds. While not classified as highly hazardous, proper personal protective equipment (PPE) including gloves and safety glasses is recommended when working with this material. Storage typically requires protection from light and moisture to maintain stability.

Analytical characterization of 5-iodophthalide commonly employs techniques such as HPLC, NMR spectroscopy, and mass spectrometry. These methods ensure batch-to-batch consistency and verify the compound's identity and purity, which are critical for research applications. Recent advancements in analytical technology have improved the detection limits for potential impurities in 5-iodophthalide preparations.

The future outlook for 5-iodophthalide research appears promising, particularly in the context of developing novel therapeutic agents. As the pharmaceutical industry continues to explore new chemical entities, the demand for specialized building blocks like 5-iodophthalide is expected to grow. Emerging applications in material science and agrochemicals may further expand its market potential.

For researchers sourcing 5-iodophthalide for sale, it's important to verify supplier credentials and request comprehensive analytical data. Reputable suppliers typically provide certificates of analysis (CoA) detailing purity, impurity profiles, and spectroscopic data. Current market analysis suggests that Asia-Pacific regions are becoming increasingly important in the production and supply of this specialty chemical.

In conclusion, 5-iodophthalide (CAS 41284-92-8) represents an important tool in modern chemical research and drug development. Its unique structural features and synthetic versatility continue to make it valuable across multiple scientific disciplines. As research into iodinated pharmaceutical intermediates advances, this compound is likely to maintain its relevance in both academic and industrial settings.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:41284-92-8)5-iodophthalide
A825502
Purity:99%
Quantity:1g
Price ($):430.0
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