Cas no 89694-45-1 (5-Bromo-2-methoxyphenylboronic acid)

5-Bromo-2-methoxyphenylboronic acid structure
89694-45-1 structure
Product Name:5-Bromo-2-methoxyphenylboronic acid
CAS No:89694-45-1
MF:C7H8BBrO3
MW:230.851621627808
MDL:MFCD00093409
CID:720632
PubChem ID:354335378
Update Time:2024-10-26

5-Bromo-2-methoxyphenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-2-methoxyphenylboronic acid
    • 5-Bromo-2-methoxybenzeneboronic acid
    • 5-Bromo-2-methoxyphenylboronic Acid (contains varying amounts of Anhydride)
    • (5-BROMO-2-METHOXY)BENZENEBORONIC ACID
    • (5-bromo-2-methoxyphenyl)boronic acid
    • Boronic acid,B-(5-bromo-2-methoxyphenyl)-
    • 3-Bromo-6-methoxyphenylboronic acid
    • 5-Bromo-2-methoxybenzeneboronic Acid (contains varying amounts of Anhydride)
    • Boronic acid, (5-bromo-2-methoxyphenyl)-
    • AMTB789
    • FVRLSHRAYPFXRQ-UHFFFAOYSA-N
    • 2-Methoxy-5-bromophenylboronic acid
    • 5-bromo-2-methyloxyphenylboronic acid
    • 5-bromo-2-methoxy-phenylboronic acid
    • 5-bromo-2-methoxyphenyl boronic acid
    • ZIN
    • B-(5-Bromo-2-methoxyphenyl)boronic acid (ACI)
    • Benzeneboronic acid, 5-bromo-2-methoxy- (6CI, 7CI)
    • Boronic acid, (5-bromo-2-methoxyphenyl)- (9CI)
    • 5-bromo-2-methoxy-phenyl boronic acid
    • MFCD00093409
    • B5173
    • 5-BROMO-2-METHOXYPHENYLBORONICACID
    • 89694-45-1
    • (5-Bromo-2-methoxyphenyl)boronicacid
    • AKOS015834776
    • DB-016090
    • DTXSID20404006
    • 2-methoxy-5-bromo-phenyl boronic acid
    • AC-16337
    • SCHEMBL1235272
    • BP-11424
    • AB03344
    • 5-bromo-2-(methyloxy)phenylboronic acid
    • AS-2790
    • SY032674
    • CS-0041830
    • MDL: MFCD00093409
    • Inchi: 1S/C7H8BBrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3
    • InChI Key: FVRLSHRAYPFXRQ-UHFFFAOYSA-N
    • SMILES: BrC1C=C(B(O)O)C(OC)=CC=1

Computed Properties

  • Exact Mass: 229.97500
  • Monoisotopic Mass: 229.97499 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 145
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Molecular Weight: 230.85
  • Topological Polar Surface Area: 49.7

Experimental Properties

  • Color/Form: solid
  • Density: 1.61
  • Melting Point: 131°C(lit.)
  • Boiling Point: 378 oC
  • Flash Point: 183 oC
  • PSA: 49.69000
  • LogP: 0.13750
  • Solubility: Not determined

5-Bromo-2-methoxyphenylboronic acid Security Information

5-Bromo-2-methoxyphenylboronic acid Customs Data

  • HS CODE:2931900090
  • Customs Data:

    China Customs Code:

    2931900090

    Overview:

    2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff:30.0%

    Summary:

    2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

5-Bromo-2-methoxyphenylboronic acid Pricemore >>

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5-Bromo-2-methoxyphenylboronic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Tripotassium phosphate ;  2 h, 50 °C
Reference
Synthesis and properties of MIDA boronate containing aromatic amino acids: New peptide building blocks
Colgin, Neil; Flinn, Tony; Cobb, Steven L., Organic & Biomolecular Chemistry, 2011, 9(6), 1864-1870

Production Method 2

Reaction Conditions
1.1 Reagents: 1,3-Dibromo-5,5-dimethylhydantoin Catalysts: Sodium methoxide Solvents: Methanol ,  Acetonitrile ;  rt; rt → 40 °C; 4 h, 40 °C; 40 °C → rt
1.2 Reagents: Sodium sulfite Solvents: Water ;  rt
Reference
Facile synthesis of 2-bromo-3-fluorobenzonitrile: An application and study of the halodeboronation of arylboronic acids
Szumigala, Ronald H. Jr.; Devine, Paul N.; Gauthier, Donald R. Jr.; Volante, R. P., Journal of Organic Chemistry, 2004, 69(2), 566-569

5-Bromo-2-methoxyphenylboronic acid Raw materials

5-Bromo-2-methoxyphenylboronic acid Preparation Products

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