Cas no 89694-44-0 (2-Bromo-5-methoxyphenylboronic acid)

2-Bromo-5-methoxyphenylboronic acid structure
89694-44-0 structure
Product Name:2-Bromo-5-methoxyphenylboronic acid
CAS No:89694-44-0
MF:C7H8BBrO3
MW:230.851621627808
MDL:MFCD06659859
CID:654283
PubChem ID:25266062
Update Time:2024-10-26

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

Names and Identifiers

    • 2-Bromo-5-methoxybenzene boronic acid
    • (2-BROMO-5-METHOXY)BENZENEBORONIC ACID
    • (2-Bromo-5-methoxyphenyl)boronic acid
    • 2-Bromo-5-methoxyphenylboronic acid
    • 2-Brom-5-methoxy-benzol-boronsaeure
    • OR1188
    • AMTB841
    • BJQKEDXKQVNQPR-UHFFFAOYSA-N
    • 2-Bromo-5-methoxyphenylboranic acid
    • FCH1323668
    • AB26490
    • BC001371
    • Boronic acid,B-(2-bromo-5-methoxyphenyl)-
    • Z1036
    • ST24040162
    • F
    • B-(2-Bromo-5-methoxyphenyl)boronic acid (ACI)
    • Benzeneboronic acid, 2-bromo-5-methoxy- (7CI)
    • Boronic acid, (2-bromo-5-methoxyphenyl)- (9CI)
    • DTXSID70649526
    • MFCD06659859
    • (2-Bromo-5-methoxy-phenyl)boronic acid
    • 2-Bromo-5-methoxybenzeneboronic acid
    • AKOS015835195
    • DB-000455
    • SY122905
    • CS-0038152
    • SCHEMBL645367
    • 2-Bromo-5-methoxybenzeneboronicacid
    • AS-2888
    • 89694-44-0
    • MDL: MFCD06659859
    • Inchi: 1S/C7H8BBrO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,1H3
    • InChI Key: BJQKEDXKQVNQPR-UHFFFAOYSA-N
    • SMILES: BrC1C(B(O)O)=CC(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
  • Topological Polar Surface Area: 49.7
  • Molecular Weight: 230.85

Experimental Properties

  • Melting Point: 214-216
  • Boiling Point: 376.6°C at 760 mmHg
  • PSA: 49.69000
  • LogP: 0.13750

2-Bromo-5-methoxyphenylboronic acid Security Information

2-Bromo-5-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%

2-Bromo-5-methoxyphenylboronic acid Pricemore >>

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abcr
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2-Bromo-5-methoxyphenylboronic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Bromine ,  Silver sulfate Solvents: Ethanol ;  rt; 3 - 15 min, rt
Reference
Mild Silver(I)-Mediated Regioselective Iodination and Bromination of Arylboronic Acids
Al-Zoubi, Raed M.; Hall, Dennis G., Organic Letters, 2010, 12(11), 2480-2483

Production Method 2

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Catalysts: N-[3,5-Bis(trifluoromethyl)phenyl]-N′-[2-(diphenylphosphinothioyl)phenyl]thioure… Solvents: Dibromomethane ,  Chloroform-d ;  1 h, rt
1.2 Reagents: 2-Methyl-2-butene ;  rt
Reference
Total Synthesis of (+)-Hinckdentine A: Harnessing Noncovalent Interactions for Organocatalytic Bromination
Ruan, Zhuwei; Wang, Min; Yang, Chen; Zhu, Lili; Su, Zhishan ; et al, JACS Au, 2022, 2(4), 793-800

Production Method 3

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Catalysts: Triphenylphosphine sulfide Solvents: Chloroform-d ,  Methanol-d ;  1 h, rt
Reference
A Practical Lewis Base Catalyzed Electrophilic Chlorination of Arenes and Heterocycles
Maddox, Sean M.; Nalbandian, Christopher J.; Smith, Davis E.; Gustafson, Jeffrey L., Organic Letters, 2015, 17(4), 1042-1045

2-Bromo-5-methoxyphenylboronic acid Raw materials

2-Bromo-5-methoxyphenylboronic acid Preparation Products

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