Cas no 214894-89-0 (5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine)

5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine is a brominated derivative of 1,4-benzodioxane, featuring a reactive bromomethyl group at the 5-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the construction of pharmacologically active molecules and functionalized heterocycles. The bromomethyl moiety facilitates further derivatization through nucleophilic substitution or cross-coupling reactions, enabling the introduction of diverse functional groups. Its rigid benzodioxine scaffold contributes to structural stability, making it valuable in medicinal chemistry and materials science. The compound is typically handled under inert conditions due to its sensitivity to moisture and light. Its synthetic utility and well-defined reactivity profile make it a useful building block for advanced chemical applications.
5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine structure
214894-89-0 structure
Product Name:5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine
CAS No:214894-89-0
MF:C9H9BrO2
MW:229.070562124252
MDL:MFCD05664400
CID:243009
PubChem ID:15380889
Update Time:2025-05-23

5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine Chemical and Physical Properties

Names and Identifiers

    • 5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine
    • 1,4-Benzodioxin,5-(bromomethyl)-2,3-dihydro-
    • 2-AMINO-N-(2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YLMETHYL)-N-METHYL-ACETAMIDE
    • 5-(bromomethyl)-2,3-dihydro-1,4-Benzodioxin
    • 5-Bromomethyl-2,3-dihydro-1,4-benzodioxin
    • D82118
    • AKOS012020535
    • MFCD05664400
    • EN300-1910939
    • 5-(bromomethyl)-2,3-dihydrobenzo[b][1,4]dioxine
    • SCHEMBL2023947
    • 5-(BROMOMETHYL)-2,3-DIHYDRO-1,4-BENZODIOXINE,97%
    • F1911-3822
    • FT-0721440
    • AM100509
    • UUZNNLAGACPGPQ-UHFFFAOYSA-N
    • 5-bromomethyl-2,3-dihydro-benzo[1,4]dioxin
    • 214894-89-0
    • A879058
    • DS-12220
    • 5-Bromomethyl-2,3-dihydro-benzo[1,4]dioxine
    • 5-(bromomethyl)-2, 3-dihydro-1, 4-benzodioxine
    • DTXSID00572217
    • DB-066536
    • MDL: MFCD05664400
    • Inchi: 1S/C9H9BrO2/c10-6-7-2-1-3-8-9(7)12-5-4-11-8/h1-3H,4-6H2
    • InChI Key: UUZNNLAGACPGPQ-UHFFFAOYSA-N
    • SMILES: BrCC1=CC=CC2=C1OCCO2

Computed Properties

  • Exact Mass: 227.97900
  • Monoisotopic Mass: 227.97859g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • 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: 2.2
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • Color/Form: NA
  • Density: 1.549
  • Melting Point: 69.4℃
  • Boiling Point: 295.7°C at 760 mmHg
  • Flash Point: 137.9°C
  • Refractive Index: 1.586
  • PSA: 18.46000
  • LogP: 2.35270

5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine Security Information

5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine 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%

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Additional information on 5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine

Comprehensive Overview of 5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine (CAS No. 214894-89-0)

5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine (CAS No. 214894-89-0) is a specialized organic compound widely recognized for its versatile applications in pharmaceutical intermediates and material science. This brominated derivative of benzodioxine has garnered significant attention due to its unique molecular structure, which features a reactive bromomethyl group attached to a 2,3-dihydro-1,4-benzodioxine core. Researchers and industries value this compound for its role in synthesizing complex molecules, particularly in drug discovery and agrochemical development.

The compound’s CAS number 214894-89-0 serves as a critical identifier in chemical databases, ensuring precise tracking in regulatory and research contexts. Its systematic name, 5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine, reflects its IUPAC nomenclature, while alternative names like 5-Bromomethylbenzodioxane may also appear in literature. The presence of the bromomethyl moiety makes it a valuable building block for nucleophilic substitution reactions, enabling the introduction of diverse functional groups in synthetic pathways.

In recent years, the demand for 5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine has surged due to its relevance in green chemistry and sustainable synthesis. As industries prioritize eco-friendly processes, this compound’s efficiency in catalytic transformations and low-waste reactions aligns with global trends. For instance, its use in cross-coupling reactions—a hot topic in organic chemistry—highlights its potential to reduce reliance on heavy metals or hazardous reagents. Researchers frequently search for terms like "benzodioxine derivatives in drug design" or "bromomethyl applications in catalysis," underscoring its interdisciplinary appeal.

From a structural perspective, the 2,3-dihydro-1,4-benzodioxine scaffold is a privileged motif in medicinal chemistry, often associated with bioactive molecules targeting neurological and cardiovascular systems. The bromomethyl group’s versatility allows for further modifications, such as click chemistry or polymer functionalization, making it a focal point for material scientists. Online queries like "CAS 214894-89-0 supplier" or "benzodioxine bromomethyl synthesis" reflect its commercial and academic demand.

Quality control and analytical methods for 5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine are rigorously documented, with HPLC and NMR being standard techniques for purity verification. Its stability under controlled conditions ensures reliable performance in lab-scale and industrial applications. Notably, discussions on "scalable synthesis of bromomethylbenzodioxine" or "safe handling of benzodioxine derivatives" dominate forums, emphasizing both its utility and operational considerations.

In summary, 5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine (CAS No. 214894-89-0) stands at the intersection of innovation and practicality. Its chemical properties, coupled with growing interest in sustainable chemistry and high-value intermediates, position it as a compound of enduring relevance. Whether in peer-reviewed research or industrial workflows, this molecule continues to inspire advancements across multiple scientific domains.

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