Cas no 552330-86-6 (5-bromo-2,3-dihydro-1H-isoindol-1-one)

5-Bromo-2,3-dihydro-1H-isoindol-1-one is a brominated isoindolinone derivative with significant utility in organic synthesis and pharmaceutical research. Its rigid bicyclic structure and bromine substituent make it a versatile intermediate for constructing complex heterocyclic compounds, particularly in medicinal chemistry applications. The bromine atom facilitates further functionalization via cross-coupling reactions, enabling precise structural modifications. This compound exhibits high purity and stability under standard conditions, ensuring reliable performance in synthetic workflows. Its well-defined reactivity profile makes it valuable for developing bioactive molecules, including potential kinase inhibitors and other therapeutic agents. The compound's synthetic accessibility and compatibility with diverse reaction conditions further enhance its appeal as a building block in drug discovery and materials science.
5-bromo-2,3-dihydro-1H-isoindol-1-one structure
552330-86-6 structure
Product Name:5-bromo-2,3-dihydro-1H-isoindol-1-one
CAS No:552330-86-6
MF:C8H6BrNO
MW:212.043341159821
MDL:MFCD09701292
CID:94724
PubChem ID:354334651
Update Time:2025-05-23

5-bromo-2,3-dihydro-1H-isoindol-1-one Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-2,3-dihydroisoindol-1-one
    • 5-Bromoisoindolin-1-one
    • 5-Bromo-1-isoindolinone
    • 5-bromo-2,3-dihydro-1H-Isoindol-1-one
    • 5-BROMO-2,3-DIHYDRO-ISOINDOL-1-ONE
    • 5-Bromooxindole
    • 5-bromo-1-oxo-isoindoline
    • 1H-ISOINDOL-1-ONE, 5-BROMO-2,3-DIHYDRO-
    • 5-bromoisoindolinone
    • BCP26824
    • EBD38628
    • 5-bromoisoindolin-1-one, AldrichCPR
    • PB29649
    • SY024144
    • BR
    • 5-bromo-2,3-dihydro-1H-isoindole-1-one
    • FT-0647177
    • HY-34097
    • AKOS015835991
    • EN300-115702
    • SCHEMBL275805
    • DTXSID70626852
    • CS-D1613
    • AM20040704
    • 5-Bromo-1-isoindolinone,96%
    • B5328
    • SS-6037
    • MFCD09701292
    • AC-28867
    • WJNKJYJCWXMBNV-UHFFFAOYSA-N
    • Z1269136562
    • A7996
    • 552330-86-6
    • J-516871
    • 5-bromo-2,3-dihydro-1H-isoindol-1-one
    • MDL: MFCD09701292
    • Inchi: 1S/C8H6BrNO/c9-6-1-2-7-5(3-6)4-10-8(7)11/h1-3H,4H2,(H,10,11)
    • InChI Key: WJNKJYJCWXMBNV-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2C(NCC=2C=1)=O

Computed Properties

  • Exact Mass: 210.96300
  • Monoisotopic Mass: 210.96328 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 183
  • 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
  • Topological Polar Surface Area: 29.1
  • Molecular Weight: 212.04
  • XLogP3: 1.5

Experimental Properties

  • Color/Form: White to Yellow Solid
  • Density: 1.666
  • Boiling Point: 448.4°C at 760 mmHg
  • Flash Point: 224.965°C
  • Refractive Index: 1.625
  • PSA: 29.10000
  • LogP: 2.02130

5-bromo-2,3-dihydro-1H-isoindol-1-one Security Information

5-bromo-2,3-dihydro-1H-isoindol-1-one Customs Data

  • HS CODE:2933790090
  • Customs Data:

    China Customs Code:

    2933790090

    Overview:

    2933790090 Other lactams. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:9.0% general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%

5-bromo-2,3-dihydro-1H-isoindol-1-one Pricemore >>

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5-bromo-2,3-dihydro-1H-isoindol-1-one Production Method

Additional information on 5-bromo-2,3-dihydro-1H-isoindol-1-one

Comprehensive Overview of 5-Bromo-2,3-dihydro-1H-isoindol-1-one (CAS No. 552330-86-6): Properties, Applications, and Industry Insights

The compound 5-bromo-2,3-dihydro-1H-isoindol-1-one (CAS No. 552330-86-6) is a brominated heterocyclic derivative with significant relevance in pharmaceutical and material science research. Its molecular structure, characterized by a fused isoindolone core and a bromine substituent, makes it a versatile intermediate for synthesizing complex molecules. Researchers frequently explore its potential in drug discovery, particularly for targeting neurological and inflammatory pathways, aligning with the growing demand for novel small-molecule therapeutics.

In recent years, the interest in isoindolone derivatives has surged due to their unique electronic properties and bioactivity. The presence of the bromine atom at the 5-position enhances reactivity, enabling cross-coupling reactions like Suzuki-Miyaura or Buchwald-Hartwig animations—key techniques in modern medicinal chemistry. This aligns with trending searches such as "brominated heterocycles in drug design" and "CAS 552330-86-6 applications," reflecting its prominence in academic and industrial queries.

From a synthetic perspective, 5-bromo-2,3-dihydro-1H-isoindol-1-one serves as a precursor for fluorescent dyes and organic semiconductors, addressing the booming demand for optoelectronic materials. Its rigid planar structure contributes to π-conjugation, a hot topic in OLED and solar cell research. Laboratories often seek guidance on "purification methods for CAS 552330-86-6" or "scaling up isoindolone synthesis," underscoring its practical challenges and scalability considerations.

Environmental and regulatory trends also shape discussions around this compound. With increasing emphasis on green chemistry, researchers investigate solvent-free or catalytic routes to derivatize 552330-86-6, minimizing waste. Queries like "biodegradability of brominated isoindolones" or "safe handling of CAS 552330-86-6" highlight user concerns about sustainable practices—a priority echoed in peer-reviewed journals and patent filings.

Analytical characterization of 5-bromo-2,3-dihydro-1H-isoindol-1-one typically involves NMR, HPLC, and mass spectrometry, with spectral data being a frequent search term among chemists. The compound’s stability under various pH conditions (pH-dependent degradation studies) is another area of interest, particularly for formulation scientists optimizing drug delivery systems.

In conclusion, CAS 552330-86-6 exemplifies the intersection of synthetic utility and multidisciplinary innovation. Its role in high-value chemical synthesis and responsiveness to industry needs—from cancer research to advanced materials—ensures its continued relevance. Future studies may explore its structure-activity relationships or novel catalytic applications, further solidifying its position in scientific literature.

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