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Home > Encyclopedia > 7-BROMO-1,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE

7-BROMO-1,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE

7-BROMO-1,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE structure

7-BROMO-1,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE 

structure
  • CAS No:

    93587-23-6

  • Formula:

    C6H4BrN3O

  • Chemical Name:

    7-BROMO-1,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE

  • Synonyms:

    7-Bromo-1H-pyrrolo[3,2-d]pyrimidin-4(5H)-one;7-BROMO-1,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE;7-bromo-5H-pyrrolo[3,2-d]pyrimidin-4-ol;7-bromo-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;7-bromo-1H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one;7-bromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;7-Bromo-1,5-dihydro-4H-pyrrolo-[3,2-d]pyrimidin-4-one;PubChem23148;SCHEMBL2429951;SCHEMBL14884393

7-BROMO-1,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE Basic Attributes

214.022

212.953766

DTXSID80535800

2933990090

Characteristics

57.2

0.5

2.1±0.1 g/cm3

427.9°C at 760 mmHg

222.4±27.3 °C

1.807

7-BROMO-1,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE Use and Manufacturing

Intermediate 97 (1.70 g, 12.6 mmol) and NBS (2.69 g, 15.1 mmol) were dissolved in DMF (100 mL) and stirred for 18 h. Intermediate 97 (1.70 g, 12.6 mmol) and NBS (2.69 g, 15.1 mmol) were dissolved in DMF (100 mL) and stirred for 18 h. The reaction mixture was diluted with water (50 mL) and the resulting solid was collected by filtration, dried, suspended in MeOH and filtered. The filtrate was concentrated in vacuo to give the title compound as a beige solid (2.60 g, 97percent). LCMS (ES+): 213.9, 215.9 (M+H)

Computed Properties

Molecular Weight:214.02
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:212.95377
Monoisotopic Mass:212.95377
Topological Polar Surface Area:57.2
Heavy Atom Count:11
Complexity:218
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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