Cas no 928048-12-8 ((3-Bromo-2-formylphenyl)boronic acid)

(3-Bromo-2-formylphenyl)boronic acid structure
928048-12-8 structure
Product Name:(3-Bromo-2-formylphenyl)boronic acid
CAS No:928048-12-8
MF:C7H6BBrO3
MW:228.835741519928
MDL:MFCD11856011
CID:1083509
PubChem ID:57497240
Update Time:2024-10-26

(3-Bromo-2-formylphenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (3-Bromo-2-formylphenyl)boronic acid
    • 3-Bromo-2-formylphenylboronic acid
    • B-(3-Bromo-2-formylphenyl)boronic acid (ACI)
    • AKOS016016051
    • D71420
    • (3-Bromo-2-formyl-phenyl)boronic acid
    • DB-362022
    • CS-0190026
    • DTXSID001283457
    • (3-Bromo-2-formylphenyl)boronicacid
    • MFCD11856011
    • B-(3-Bromo-2-formylphenyl)boronic acid
    • 928048-12-8
    • MDL: MFCD11856011
    • Inchi: 1S/C7H6BBrO3/c9-7-3-1-2-6(8(11)12)5(7)4-10/h1-4,11-12H
    • InChI Key: WAEUTZBZXUBAAV-UHFFFAOYSA-N
    • SMILES: O=CC1C(B(O)O)=CC=CC=1Br

Computed Properties

  • Exact Mass: 227.95934g/mol
  • Monoisotopic Mass: 227.95934g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 165
  • 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: 57.5?2

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(3-Bromo-2-formylphenyl)boronic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Diethyl ether ;  15 min, -78 °C
1.2 Reagents: Triethyl borate ;  30 min, -78 °C → -50 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ;  rt
Reference
A tautomeric equilibrium between functionalized 2-formylphenylboronic acids and corresponding 1,3-dihydro-1,3-dihydroxybenzo[c][2,1]oxaboroles
Lulinski, Sergiusz; Madura, Izabela; Serwatowski, Janusz; Szatylowicz, Halina; Zachara, Janusz, New Journal of Chemistry, 2007, 31(1), 144-154

Production Method 2

Reaction Conditions
1.1 Reagents: Chloro(1-methylethyl)magnesium Solvents: Tetrahydrofuran ;  -5 - 0 °C; 1 h, -5 - 0 °C
1.2 Reagents: Trimethyl borate ;  -10 - -5 °C; 1 h, -10 - -5 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ;  pH 4 - 5, 5 - 25 °C; 1 h, rt
Reference
Method for synthesizing 2-bromo-6-hydroxybenzaldehyde
, China, , ,

(3-Bromo-2-formylphenyl)boronic acid Raw materials

(3-Bromo-2-formylphenyl)boronic acid Preparation Products

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