Cas no 279261-84-6 (Chroman-6-ylboronic acid)

Chroman-6-ylboronic acid is a boronic acid derivative featuring a chroman (2,3-dihydrobenzopyran) scaffold, which is valuable in organic synthesis and pharmaceutical research. Its boronic acid functional group enables participation in Suzuki-Miyaura cross-coupling reactions, facilitating the construction of complex biaryl and heteroaryl structures. The chroman core offers inherent stability and potential bioactivity, making this compound useful in medicinal chemistry for probing structure-activity relationships. Its moderate reactivity and compatibility with diverse reaction conditions enhance its utility in multi-step syntheses. Proper handling under inert conditions is recommended due to boronic acid sensitivity to protodeboronation. This reagent is particularly relevant for accessing chroman-containing analogs in drug discovery.
Chroman-6-ylboronic acid structure
Chroman-6-ylboronic acid structure
Product Name:Chroman-6-ylboronic acid
CAS No:279261-84-6
MF:C9H11BO3
MW:177.992842912674
MDL:MFCD12779349
CID:1011524
PubChem ID:50990450
Update Time:2025-06-08

Chroman-6-ylboronic acid Chemical and Physical Properties

Names and Identifiers

    • Chroman-6-ylboronic acid
    • 3,4-dihydro-2H-1-benzopyran-6-ylboranediol
    • 3,4-dihydro-2H-chromen-6-ylboronic acid
    • Boronic acid, (3,4-dihydro-2H-1-benzopyran-6-yl)-
    • (3,4-Dihydro-2H-1-benzopyran-6-yl)boronic acid
    • chroman-6-boronic acid
    • RIBOTMNSYSYOHG-UHFFFAOYSA-N
    • ST24046320
    • 3,4-Dihydro-2H-1-benzopyran-6-ylboronic acid
    • Boronicacid,(3,4-dihydro-2H-1-benzopyran-6-yl)-
    • Boronic acid, B-(3,4-dihydro-2H-1-benzopyran-6-yl)-
    • 279261-84-6
    • BS-13846
    • A876831
    • DB-333931
    • Chroman-6-ylboronicacid
    • EN300-70382
    • MFCD12779349
    • Z730728346
    • CS-M3132
    • SCHEMBL470297
    • DTXSID60679150
    • AKOS010255489
    • MDL: MFCD12779349
    • Inchi: 1S/C9H11BO3/c11-10(12)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6,11-12H,1-2,5H2
    • InChI Key: RIBOTMNSYSYOHG-UHFFFAOYSA-N
    • SMILES: O1C2C=CC(B(O)O)=CC=2CCC1

Computed Properties

  • Exact Mass: 178.08000
  • Monoisotopic Mass: 178.0801244g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 174
  • 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: 49.7

Experimental Properties

  • PSA: 49.69000
  • LogP: -0.30860

Chroman-6-ylboronic acid Pricemore >>

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