Cas no 815620-00-9 ((4-Formyl-3-methoxyphenyl)boronic acid)

(4-Formyl-3-methoxyphenyl)boronic acid structure
815620-00-9 structure
Product Name:(4-Formyl-3-methoxyphenyl)boronic acid
CAS No:815620-00-9
MF:C8H9BO4
MW:179.965662717819
MDL:MFCD10697427
CID:857045
PubChem ID:53216721
Update Time:2024-12-09

(4-Formyl-3-methoxyphenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (4-Formyl-3-methoxyphenyl)boronic acid
    • 4-FORMYL-3-METHOXYPHENYLBORONIC ACID
    • B-(4-Formyl-3-methoxyphenyl)boronic acid (ACI)
    • Boronic acid, (4-formyl-3-methoxyphenyl)- (9CI)
    • (4-Formyl-3-methoxyphenyl)boronicacid
    • 4-Dihydroxyboryl-2-methoxybenzaldehyde
    • AB59583
    • SCHEMBL14654654
    • CS-0132530
    • AS-63555
    • MFCD10697427
    • 815620-00-9
    • DTXSID80681871
    • AKOS006302505
    • EN300-7377573
    • MDL: MFCD10697427
    • Inchi: 1S/C8H9BO4/c1-13-8-4-7(9(11)12)3-2-6(8)5-10/h2-5,11-12H,1H3
    • InChI Key: LZVMUJGTTXMMTE-UHFFFAOYSA-N
    • SMILES: O=CC1C(OC)=CC(B(O)O)=CC=1

Computed Properties

  • Exact Mass: 180.05900
  • Monoisotopic Mass: 180.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • 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: 66.8A^2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 400.8±55.0 °C at 760 mmHg
  • Flash Point: 196.2±31.5 °C
  • PSA: 66.76000
  • LogP: -0.81250
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

(4-Formyl-3-methoxyphenyl)boronic acid Security Information

(4-Formyl-3-methoxyphenyl)boronic acid Pricemore >>

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(4-Formyl-3-methoxyphenyl)boronic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Acetone ;  2 h, reflux
2.1 Catalysts: p-Toluenesulfonic acid Solvents: Toluene ;  reflux
3.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ;  1 h, -78 °C
3.2 Reagents: Triisopropyl borate ;  overnight, rt
3.3 Reagents: Hydrochloric acid Solvents: Water ;  0 °C; 20 h, rt
Reference
Synthesis of boronated alkoxyphenylalanines
Wolan, A.; et al, Letters in Organic Chemistry, 2004, 1(3), 238-245

Production Method 2

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ;  1 h, -78 °C
1.2 Reagents: Triisopropyl borate ;  overnight, rt
1.3 Reagents: Hydrochloric acid Solvents: Water ;  0 °C; 20 h, rt
Reference
Synthesis of boronated alkoxyphenylalanines
Wolan, A.; et al, Letters in Organic Chemistry, 2004, 1(3), 238-245

Production Method 3

Reaction Conditions
1.1 Catalysts: p-Toluenesulfonic acid Solvents: Toluene ;  reflux
2.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ;  1 h, -78 °C
2.2 Reagents: Triisopropyl borate ;  overnight, rt
2.3 Reagents: Hydrochloric acid Solvents: Water ;  0 °C; 20 h, rt
Reference
Synthesis of boronated alkoxyphenylalanines
Wolan, A.; et al, Letters in Organic Chemistry, 2004, 1(3), 238-245

Production Method 4

Reaction Conditions
1.1 Reagents: Triethylamine ,  Magnesium chloride Solvents: Acetonitrile ;  72 h, reflux
1.2 Reagents: Hydrochloric acid Solvents: Water
2.1 Reagents: Potassium carbonate Solvents: Acetone ;  2 h, reflux
3.1 Catalysts: p-Toluenesulfonic acid Solvents: Toluene ;  reflux
4.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ;  1 h, -78 °C
4.2 Reagents: Triisopropyl borate ;  overnight, rt
4.3 Reagents: Hydrochloric acid Solvents: Water ;  0 °C; 20 h, rt
Reference
Synthesis of boronated alkoxyphenylalanines
Wolan, A.; et al, Letters in Organic Chemistry, 2004, 1(3), 238-245

(4-Formyl-3-methoxyphenyl)boronic acid Raw materials

(4-Formyl-3-methoxyphenyl)boronic acid Preparation Products

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