Cas no 1257724-90-5 (2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione)

2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione is a boron-containing heterocyclic compound characterized by its unique dioxazaborocane structure. This molecule integrates a hydroxyphenyl substituent, enhancing its potential for coordination chemistry and applications in material science. The presence of the boron atom within the heterocyclic framework offers reactivity useful for cross-coupling reactions or as a precursor in organic synthesis. Its methyl group contributes to improved stability, while the dione functionality provides sites for further derivatization. The compound’s structural features make it a candidate for research in catalysis, polymer chemistry, or as a ligand in metal-organic frameworks. Its precise properties depend on reaction conditions and targeted modifications.
2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione structure
1257724-90-5 structure
Product Name:2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
CAS No:1257724-90-5
MF:C11H12BNO5
MW:249.027683258057
CID:2602444
PubChem ID:329761973
Update Time:2025-10-15

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

Names and Identifiers

    • 2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
    • 3-Hydroxyphenylboronic acid MIDA ester
    • 1257724-90-5
    • DTXSID20744095
    • 3-Hydroxyphenylboronic acid MIDA ester, 97%
    • starbld0017314
    • SCHEMBL13563857
    • DTXCID70694839
    • MDL: MFCD11215224
    • Inchi: 1S/C11H12BNO5/c1-13-6-10(15)17-12(18-11(16)7-13)8-3-2-4-9(14)5-8/h2-5,14H,6-7H2,1H3
    • InChI Key: NZNGUMOTSLXTJB-UHFFFAOYSA-N
    • SMILES: O1B(C2C=CC=C(C=2)O)OC(CN(C)CC1=O)=O

Computed Properties

  • Exact Mass: 249.0808526g/mol
  • Monoisotopic Mass: 249.0808526g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 317
  • 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: 76.1?2

Experimental Properties

  • Melting Point: 204-209?°C

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

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn

2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione Pricemore >>

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