ChemicalBook--->CAS DataBase List--->93587-23-6

93587-23-6

93587-23-6 Structure

93587-23-6 Structure
IdentificationBack Directory
[Name]

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

93587-23-6
[Synonyms]

7-Bromo-1H-pyrrolo[3,2-d]pyrimidin-4(5H)
7-broMo-1H-pyrrolo[3,2-d]pyriMidin-4(5H)-one
7-bromo-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
7-BROMO-1,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE
4H-Pyrrolo[3,2-d]pyrimidin-4-one, 7-bromo-3,5-dihydro-
[Molecular Formula]

C6H4BrN3O
[MDL Number]

MFCD09999206
[MOL File]

93587-23-6.mol
[Molecular Weight]

214.02
Chemical PropertiesBack Directory
[storage temp. ]

2-8°C
[Appearance]

White to off-white Solid
Spectrum DetailBack Directory
[Spectrum Detail]

7-BROMO-1,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE(93587-23-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

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

5655-01-6

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

93587-23-6

The general procedure for the synthesis of 7-bromo-1,5-dihydro-4H-pyrrolo[3,2-D]pyrimidin-4-one using pyrrolo[3,2-D]pyrimidin-4-one as starting material was as follows: pyrrolo[3,2-D]pyrimidin-4-one (1.70 g, 12.6 mmol) and N-bromosuccinimide (NBS, 2.69 g, 15.1 mmol) were dissolved in N ,N-dimethylformamide (DMF, 100 mL) and the reaction was stirred at room temperature for 18 hours. Upon completion of the reaction, the reaction mixture was diluted with deionized water (50 mL) and the precipitated solid product was collected by filtration. The resulting solid was dried, suspended in methanol (MeOH) and filtered again for purification. Finally, the filtrate was concentrated under reduced pressure to afford the target compound 7-bromo-1,5-dihydro-4H-pyrrolo[3,2-D]pyrimidin-4-one as a beige solid (2.60 g, 97% yield). The product was analyzed by liquid chromatography-mass spectrometry (LCMS) and the molecular weights of the products were confirmed (ES+): 213.9, 215.9 ([M+H]+).

[References]

[1] Patent: US2013/102587, 2013, A1. Location in patent: Paragraph 0271; 0272
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