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5-Bromo-4(3H)-pyrimidinone

5-Bromo-4(3H)-pyrimidinone structure

5-Bromo-4(3H)-pyrimidinone 

structure
  • CAS No:

    19808-30-1

  • Formula:

    C4H3BrN2O

  • Chemical Name:

    5-Bromo-4(3H)-pyrimidinone

  • Synonyms:

    4(3H)-Pyrimidinone,5-bromo-;4(1H)-Pyrimidinone,5-bromo-;4-Pyrimidinol,5-bromo-;5-Bromo-4(3H)-pyrimidinone;5-Bromo-4-hydroxypyrimidine;5-Bromopyrimidin-4(1H)-one;5-Bromopyrimidin-4-ol;5-Bromo-1H-pyrimidin-6-one

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

5-Bromo-4(3H)-pyrimidinone Basic Attributes

174.98342

174.98

243-334-4

DTXSID0066533

2933599090

Characteristics

41.5

0.2

2.00±0.1 g/cm3(Predicted)

199-200 °C

99.5ºC

1.679

0.36 M

5-Bromo-4(3H)-pyrimidinone Use and Manufacturing

Methods of Manufacturing

Step A: Step T2: 5-Bromo-3H-pyrimidin-4-one A mixture of 3H-pyrimidin-4-one (1 1 g, 114 mmol), bromine (6.5 mL, 126 mmol), and KOAc (33.7 g, 343 mmol) in AcOH (100 mL) was stirred for 30 min at rt. The resulting precipitate was collected by filtration to provide 30 g of a white solid. This solid was dissolved in CHStep T1 : 5-Bromo-4-methoxy-pyrimidine A mixture of the compound prepared in step T2 (3.13 g, 17.9 mmol) and POCI

4(3H)-Pyrimidinone, 5-bromo-: INACTIVE

Computed Properties

Molecular Weight:174.98
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:173.94288
Monoisotopic Mass:173.94288
Topological Polar Surface Area:41.5
Heavy Atom Count:8
Complexity:173
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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