Cas no 306934-90-7 (7-Iodo-3,4-dihydro-2H-1,5-benzodioxepine)

7-Iodo-3,4-dihydro-2H-1,5-benzodioxepine is a heterocyclic compound featuring a benzodioxepine core substituted with an iodine atom at the 7-position. This structure makes it a valuable intermediate in organic synthesis, particularly for pharmaceutical and agrochemical applications. The iodine moiety offers reactivity for further functionalization via cross-coupling reactions, such as Suzuki or Sonogashira couplings, enabling the introduction of diverse substituents. The benzodioxepine scaffold contributes to its potential as a building block for bioactive molecules, including CNS-targeting compounds. Its stability and well-defined reactivity profile enhance its utility in medicinal chemistry research. The compound is typically handled under inert conditions to preserve its integrity.
7-Iodo-3,4-dihydro-2H-1,5-benzodioxepine structure
306934-90-7 structure
Product Name:7-Iodo-3,4-dihydro-2H-1,5-benzodioxepine
CAS No:306934-90-7
MF:C9H9IO2
MW:276.071035146713
CID:303540
PubChem ID:2776396
Update Time:2025-10-19

7-Iodo-3,4-dihydro-2H-1,5-benzodioxepine Chemical and Physical Properties

Names and Identifiers

    • 2H-1,5-Benzodioxepin,3,4-dihydro-7-iodo-
    • 7-Iodo-3,4-dihydro-2H-1,5-benzodioxepine
    • SCHEMBL13182219
    • 306934-90-7
    • EN300-646076
    • DTXSID70380043
    • MFCD02677706
    • AKOS005073198
    • KA-0736
    • CS-0450820
    • J-519277
    • 7-Iodo-3,4-dihydro-2H-1,5-benzodioxepine, AldrichCPR
    • 2H-1,5-Benzodioxepin, 3,4-dihydro-7-iodo-
    • FT-0621440
    • 7-Iodo-3,4-dihydro-2H-benzo[b][1,4]dioxepine
    • MDL: MFCD02677706
    • Inchi: 1S/C9H9IO2/c10-7-2-3-8-9(6-7)12-5-1-4-11-8/h2-3,6H,1,4-5H2
    • InChI Key: CIZHAPZOOAJDCN-UHFFFAOYSA-N
    • SMILES: IC1C=CC2=C(C=1)OCCCO2

Computed Properties

  • Exact Mass: 275.96500
  • Monoisotopic Mass: 275.96473g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 152
  • 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: 2.8
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • Density: Not available
  • Melting Point: Not available
  • Boiling Point: 120 °C
  • Flash Point: Not available
  • Refractive Index: 1.605
  • PSA: 18.46000
  • LogP: 2.45250
  • Vapor Pressure: Not available

7-Iodo-3,4-dihydro-2H-1,5-benzodioxepine Customs Data

  • HS CODE:2932999099
  • Customs Data:

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

7-Iodo-3,4-dihydro-2H-1,5-benzodioxepine Pricemore >>

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Additional information on 7-Iodo-3,4-dihydro-2H-1,5-benzodioxepine

Introduction to 7-Iodo-3,4-dihydro-2H-1,5-benzodioxepine (CAS No. 306934-90-7)

7-Iodo-3,4-dihydro-2H-1,5-benzodioxepine (CAS No. 306934-90-7) is a significant compound in the realm of pharmaceutical chemistry and medicinal research. This heterocyclic molecule, characterized by its iodine substituent and benzodioxepine core structure, has garnered considerable attention due to its versatile applications in drug discovery and molecular pharmacology. The compound's unique structural features make it a valuable scaffold for developing novel therapeutic agents targeting various biological pathways.

The benzodioxepine moiety in 7-Iodo-3,4-dihydro-2H-1,5-benzodioxepine contributes to its remarkable pharmacological properties. Benzodioxepines are known for their ability to interact with multiple receptor systems, including serotonin and dopamine receptors, which are pivotal in modulating neurotransmitter activity. This interaction is particularly relevant in the treatment of neurological and psychiatric disorders. The presence of an iodine atom at the 7-position enhances the compound's reactivity, making it a promising intermediate for further chemical modifications and derivatization.

Recent advancements in medicinal chemistry have highlighted the potential of 7-Iodo-3,4-dihydro-2H-1,5-benzodioxepine as a lead compound for the development of innovative treatments. Studies have demonstrated its efficacy in preclinical models as a modulator of serotonin receptor activity, which is crucial for addressing conditions such as depression, anxiety, and cognitive disorders. The compound's ability to selectively bind to specific serotonin receptors without significant off-target effects makes it an attractive candidate for further clinical investigation.

In addition to its applications in neuropharmacology, 7-Iodo-3,4-dihydro-2H-1,5-benzodioxepine has shown promise in other therapeutic areas. Research indicates that this molecule may exhibit anti-inflammatory and antioxidant properties, making it a potential candidate for treating chronic inflammatory diseases and oxidative stress-related conditions. The structural flexibility of the benzodioxepine ring allows for the introduction of various functional groups, enabling the synthesis of a diverse library of derivatives with tailored pharmacological profiles.

The synthesis of 7-Iodo-3,4-dihydro-2H-1,5-benzodioxepine involves multi-step organic reactions that require precise control over reaction conditions and reagent selection. Advanced synthetic methodologies have been employed to optimize yield and purity, ensuring that the final product meets the stringent requirements of pharmaceutical research. Techniques such as palladium-catalyzed cross-coupling reactions and regioselective functionalization have been instrumental in achieving high-quality intermediates and final products.

One of the most compelling aspects of 7-Iodo-3,4-dihydro-2H-1,5-benzodioxepine is its potential as a building block for structure-based drug design. By leveraging computational modeling and molecular docking techniques, researchers can predict how this compound interacts with biological targets at the atomic level. This approach has accelerated the discovery process by allowing rapid screening of virtual libraries derived from 7-Iodo-3,4-dihydro-2H-1,5-benzodioxepine, identifying novel analogs with enhanced potency and selectivity.

The growing interest in 7-Iodo-3,4-dihydro-2H-1,5-benzodioxepine underscores its significance in modern drug development. As pharmaceutical companies continue to invest in innovative therapies targeting neurological and metabolic disorders, this compound stands out as a versatile tool with broad therapeutic implications. Its unique structural features and pharmacological properties position it as a cornerstone in the quest for next-generation treatments.

Future research directions may explore the use of 7-Iodo-3,4-dihydro-2H-1,5-benzodioxepine in combination therapies to enhance treatment outcomes. By pairing this compound with other pharmacological agents that act on different biological pathways, researchers aim to develop synergistic approaches that address complex diseases more effectively. Such collaborative strategies could pave the way for breakthroughs in treating multifactorial conditions that currently pose significant challenges to healthcare providers.

In conclusion,7-Iodo-3,4-dihydro-2H-1,5-benzodioxepine (CAS No. 306934-90-7) represents a critical advancement in pharmaceutical chemistry with far-reaching implications for medical science. Its unique structural attributes and demonstrated pharmacological activity make it a cornerstone in drug discovery efforts aimed at addressing some of today's most pressing health issues. As research continues to uncover new applications for this compound,7-Iodo-3,4-dihydro -2H -1 ,5 -benzodioxepine is poised to play an increasingly vital role in shaping the future of medicine.

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