Cas no 884507-59-9 (7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonitrile)

7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonitrile is a heterocyclic compound featuring a fused thienodioxine core with bromine and cyano functional groups. Its unique structure makes it a valuable intermediate in organic synthesis, particularly for constructing complex heterocyclic systems. The bromine substituent offers a reactive site for further functionalization via cross-coupling reactions, while the electron-withdrawing cyano group enhances its utility in nucleophilic substitution or cyclization reactions. This compound is well-suited for applications in pharmaceuticals, agrochemicals, and materials science, where precise molecular modifications are required. Its stability and synthetic versatility make it a practical choice for researchers developing novel compounds with tailored properties.
7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonitrile structure
884507-59-9 structure
Product Name:7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonitrile
CAS No:884507-59-9
MF:C7H4BrNO2S
MW:246.081159591675
CID:710542
PubChem ID:18525891
Update Time:2025-09-28

7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-7-carbonitrile
    • Thieno[3,4-b]-1,4-dioxin-5-carbonitrile,7-bromo-2,3-dihydro-
    • 7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonitrile
    • 7-bromo-2H,3H-thieno[3,4-b][1,4]dioxine-5-carbonitrile
    • 7-bromo-2H,3H-thiopheno[3,4-e]1,4-dioxane-5-carbonitrile
    • 884507-59-9
    • DTXSID70594643
    • MFCD08690307
    • TQP0133
    • FT-0715514
    • CS-0458462
    • SCHEMBL23335488
    • 7-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonitrile, AldrichCPR
    • 7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonitrile
    • Inchi: 1S/C7H4BrNO2S/c8-7-6-5(4(3-9)12-7)10-1-2-11-6/h1-2H2
    • InChI Key: CNYIRGSQBVJHBW-UHFFFAOYSA-N
    • SMILES: BrC1=C2C(=C(C#N)S1)OCCO2

Computed Properties

  • Exact Mass: 244.91500
  • Monoisotopic Mass: 244.91461g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 229
  • 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: 2.4
  • Topological Polar Surface Area: 70.5?2

Experimental Properties

  • Density: 1.9
  • Melting Point: 149-150
  • Boiling Point: 320.5°C at 760 mmHg
  • Flash Point: 147.6°C
  • Refractive Index: 1.663
  • PSA: 70.49000
  • LogP: 2.15348

7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonitrile Security Information

  • Hazard Statement: Harmful
  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn

7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Apollo Scientific
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7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonitrile
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Additional information on 7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonitrile

Research Briefing on 7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonitrile (CAS: 884507-59-9)

In recent years, the compound 7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonitrile (CAS: 884507-59-9) has garnered significant attention in the field of chemical biology and pharmaceutical research. This heterocyclic compound, characterized by its unique thienodioxine scaffold, has shown promising potential in various applications, including drug discovery, material science, and organic synthesis. The presence of both bromo and cyano functional groups enhances its reactivity, making it a versatile intermediate for further chemical modifications.

Recent studies have focused on the synthesis and optimization of 7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonitrile to improve its yield and purity. Advanced techniques such as high-performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) spectroscopy have been employed to characterize the compound and confirm its structural integrity. Researchers have also explored its potential as a building block for the development of novel pharmaceuticals, particularly in the design of kinase inhibitors and other therapeutic agents targeting metabolic disorders.

One of the key findings from recent research is the compound's role in the synthesis of polycyclic aromatic hydrocarbons (PAHs) and conjugated polymers. These materials have applications in organic electronics, including organic light-emitting diodes (OLEDs) and photovoltaic cells. The electron-withdrawing nature of the cyano group in 7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonitrile contributes to the tuning of electronic properties, making it a valuable component in the development of advanced materials.

In the pharmaceutical domain, preliminary in vitro studies have demonstrated the compound's ability to modulate specific biological pathways. For instance, it has been investigated as a potential inhibitor of protein kinases involved in inflammatory responses and cancer progression. While further in vivo studies are required to validate these findings, the initial results highlight the compound's therapeutic potential and warrant continued exploration.

In conclusion, 7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonitrile (CAS: 884507-59-9) represents a promising candidate for both chemical and biological applications. Its versatility as a synthetic intermediate and its potential therapeutic benefits make it a subject of ongoing research. Future studies should focus on optimizing its synthesis, elucidating its mechanism of action, and exploring its applications in drug development and material science.

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