Cas no 622864-48-6 (3-Hydroxy-4-methoxyphenylboronic acid)

3-Hydroxy-4-methoxyphenylboronic acid is a boronic acid derivative with the molecular formula C?H?BO?. This compound features both hydroxyl and methoxy functional groups on the phenyl ring, enhancing its reactivity and utility in cross-coupling reactions, particularly Suzuki-Miyaura couplings. Its boronic acid moiety enables efficient formation of carbon-carbon bonds, making it valuable in pharmaceutical and agrochemical synthesis. The presence of electron-donating substituents (hydroxy and methoxy) further influences its electronic properties, facilitating selective transformations. This reagent is typically supplied as a stable, crystalline solid, ensuring consistent performance in organic synthesis. It is commonly used in the preparation of advanced intermediates for bioactive molecules and materials science applications.
3-Hydroxy-4-methoxyphenylboronic acid structure
622864-48-6 structure
Product Name:3-Hydroxy-4-methoxyphenylboronic acid
CAS No:622864-48-6
MF:C7H9BO4
MW:167.954962491989
MDL:MFCD12025997
CID:839880
PubChem ID:21980666
Update Time:2025-09-28

3-Hydroxy-4-methoxyphenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • 3-HYDROXY-4-METHOXYPHENYLBORONIC ACID
    • (3-Hydroxy-4-methoxyphenyl)boronic acid
    • 3-Hydroxy-4-methoxybenzeneboronic acid
    • DTXSID80621111
    • Boronic acid, (3-hydroxy-4-methoxyphenyl)- (9CI)
    • YOPHDOOHKDJUAM-UHFFFAOYSA-N
    • (3-Hydroxy-4-methoxyphenyl)boronicacid
    • SCHEMBL3484229
    • R10067
    • AKOS006315831
    • EN300-4247048
    • XZA86448
    • CS-0174504
    • 622864-48-6
    • 3-Hydroxy-4-methoxyphenylboronic acid, AldrichCPR
    • AS-18715
    • DB-348268
    • MFCD12025997
    • 3-Hydroxy-4-methoxyphenylboronic acid
    • MDL: MFCD12025997
    • Inchi: 1S/C7H9BO4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9-11H,1H3
    • InChI Key: YOPHDOOHKDJUAM-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC(B(O)O)=CC=1O

Computed Properties

  • Exact Mass: 168.05900
  • Monoisotopic Mass: 168.0593889g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 141
  • 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: 69.9?2

Experimental Properties

  • Density: 1.32±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 221 oC
  • Solubility: Slightly soluble (18 g/l) (25 o C),
  • PSA: 69.92000
  • LogP: -0.91940

3-Hydroxy-4-methoxyphenylboronic acid Security Information

  • Hazard Category Code: 36
  • Safety Instruction: 26

3-Hydroxy-4-methoxyphenylboronic acid Pricemore >>

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3-Hydroxy-4-methoxyphenylboronic acid Production Method

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