Cas no 943552-04-3 (2-(4-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione)

2-(4-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione is a heterocyclic boron-containing compound featuring a dioxazaborocane core with a 4-bromophenyl substituent. This structure imparts unique reactivity and stability, making it valuable in organic synthesis and materials science. The bromophenyl group enhances its utility as a versatile intermediate for cross-coupling reactions, such as Suzuki-Miyaura couplings, while the dioxazaborocane framework contributes to its thermal and hydrolytic stability. The compound's well-defined stereochemistry and functional group compatibility further support its use in the development of pharmaceuticals, agrochemicals, and advanced polymeric materials. Its crystalline nature facilitates purification and characterization, ensuring reproducibility in research and industrial applications.
2-(4-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione structure
943552-04-3 structure
Product Name:2-(4-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
CAS No:943552-04-3
MF:C11H11BBrNO4
MW:311.924342393875
MDL:MFCD11215230
CID:2083345
PubChem ID:329761980
Update Time:2025-06-06

2-(4-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione Chemical and Physical Properties

Names and Identifiers

    • 4-Bromophenylboronic acid MIDA ester
    • 2-(4-bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
    • AKOS022168233
    • MFCD11215230
    • 4-Bromophenylboronic acid MIDA ester, 97%
    • AS-2802
    • 1257640-97-3
    • DTXSID70659281
    • 943552-04-3
    • DTXCID30610030
    • 2-(4-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
    • MDL: MFCD11215230
    • Inchi: 1S/C11H11BBrNO4/c1-14-6-10(15)17-12(18-11(16)7-14)8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3
    • InChI Key: ZKMPNCNELZIKDC-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(B2OC(CN(C)CC(=O)O2)=O)=CC=1

Computed Properties

  • Exact Mass: 310.99645g/mol
  • Monoisotopic Mass: 310.99645g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 313
  • 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: 55.8?2

Experimental Properties

  • Melting Point: 248-253?°C

2-(4-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione Security Information

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2-(4-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:943552-04-3)2-(4-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
Order Number:A917268
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 13:02
Price ($):256.0

2-(4-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione Related Literature

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Amadis Chemical Company Limited
(CAS:943552-04-3)2-(4-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
A917268
Purity:99%
Quantity:25g
Price ($):256.0
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