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Home > Encyclopedia > 2-(6-BroMo-pyridin-3-yl)pyriMidine

2-(6-BroMo-pyridin-3-yl)pyriMidine

2-(6-BroMo-pyridin-3-yl)pyriMidine structure

2-(6-BroMo-pyridin-3-yl)pyriMidine 

structure
  • CAS No:

    942189-65-3

  • Formula:

    C9H6BrN3

  • Chemical Name:

    2-(6-BroMo-pyridin-3-yl)pyriMidine

  • Synonyms:

    2-(6-BroMo-pyridin-3-yl)pyriMidine;2-(6-Bromo-3-pyridyl)pyrimidine;2-(6-Bromopyridin-3-yl);EOS-61905

2-(6-BroMo-pyridin-3-yl)pyriMidine Basic Attributes

236.06804

234.974503

DTXSID00705189

Characteristics

38.7

1.8

1.6±0.1 g/cm3

112.6±27.3 °C

1.619

2-(6-BroMo-pyridin-3-yl)pyriMidine Use and Manufacturing

A mixture of 2-bromopyrimidine (0.43g, 2.70mmol), 2-bromopyridine-5-boronic acid (0.55g, 2.72mmol), tetrakis(triphenylpnosphine)palladium(0) (3OOmg, 0.259mmol), cesium carbonate (1.15g, 3.03mmol) was stirred in MeOH/toluene/water (15ml, 1/1/1) at reflux temperature overnight. The reaction was cooled to room temperature and diluted with EtOAc (200ml) and water (50ml). The organic layer was separated, dried over MgSd, filtered and solvent evaporated yielding a residue which was purified on silica gel eluting with 25percent v/vEtOAc/hexanes yielding product 76 as white solid. (0.55g, 85percent) ESMS (MH, 236).A mixture of 2-bromopyridine (0.43g, 2.70mmol), 2-bromopyridine-5-boronic acid (0.55g, 2.72mmol), tetrakis(triphenylphosphine)palladium(0) (3OOmg, 0.259mmol), cesium carbonate (1.15g, 3.03mmol) was stirred in MeOH/toluene/water (15ml, 1/1/1) at reflux temperature overnight. The reaction was cooled to room temperature and diluted with EtOAc (200ml) and water (50ml). The organic layer was separated, dried over MgSO4, filtered and solvent evaporated yielding a residue which was purified on silica gel eluting with 25percent v/vEtOAc/hexanes yielding product 76 as white solid. (0.55g, 5percent) ESMS (MH, 236).

Computed Properties

Molecular Weight:236.07
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:234.97451
Monoisotopic Mass:234.97451
Topological Polar Surface Area:38.7
Heavy Atom Count:13
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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