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Home > Encyclopedia > 4-BROMO-3-NITROPHENYLBORONIC ACID

4-BROMO-3-NITROPHENYLBORONIC ACID

4-BROMO-3-NITROPHENYLBORONIC ACID structure

4-BROMO-3-NITROPHENYLBORONIC ACID 

structure
  • CAS No:

    74386-13-3

  • Formula:

    C6H5BBrNO4

  • Chemical Name:

    4-BROMO-3-NITROPHENYLBORONIC ACID

  • Synonyms:

    RARECHEM AH PB 0034;AKOS BRN-0082;4-BROMO-3-NITROPHENYLBORONIC ACID;4-BROMO-3-NITROBENZENEBORONIC ACID

4-BROMO-3-NITROPHENYLBORONIC ACID Basic Attributes

245.82

244.949493

DTXSID80378774

2931900090

Characteristics

86.3

0.56030

1.9±0.1 g/cm3

213-216

361.6°C at 760 mmHg

172.5±30.7 °C

1.630

Safety Information

Xi

Irritant

4-BROMO-3-NITROPHENYLBORONIC ACID Use and Manufacturing

Methods of Manufacturing

Reaction 1-1 (19.48 g, 89 mmol) was added sequentially to a 1 L round bottom flask.Bis(pinacolato)diboron(27 g, 106 mmol), bis(triphenylphosphine)palladium dichloride (3.1 g, 4.45 mmol), potassium acetate (KOAc) (22 g, 222 mmol) and 1, 4-Dioxane (445 mL) was stirred with stirring to reflux. After 3 hours, the mixture was extracted with methylene chloride and distilled water. After that, Intermediate 1-1 (13.08 g, 60percent) was obtained by column chromatography.

Uses

suzuki reaction

Computed Properties

Molecular Weight:245.83
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:244.94950
Monoisotopic Mass:244.94950
Topological Polar Surface Area:86.3
Heavy Atom Count:13
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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