7-bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine
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![7-bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b4e42dbc61de471280fb0db43dc9dbeb.png "7-bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine")
7-bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine
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CAS No:
1032650-41-1
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Formula:
C6H3BrClN3
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Chemical Name:
7-bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine
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Synonyms:
7-bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine;7-broMo-4-chloro-5H-pyrrolo[3;7-BroMo-4-chloro-5H-pyrro...;5H-Pyrrolo[3,2-d]pyriMidine,7-broMo-4-chloro-
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CAS No:
7-bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine Basic Attributes
232.46512
230.919876
DTXSID50680932
2933990090
7-bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine Use and Manufacturing
A mixture of 7-bromo-3, 5-dihydropyrrolo[3, 2-?]pyrimidin-4-one (100 mg, 0.5 mmol) and 6 mL of POCI3 under argon was warmed at 115°C. After 3 hours, the mixture was cooled to room temperature and poured over 300 mL of ice, stirred, made basic with potassium carbonate and extracted with EtOAc. The combined organic layers were dried, filtered, and concentrated in vacuo to provide 101 mg (93percent) of the desired 7-bromo-4-chloro-5H-pyrrolo[3, 2- djpyrimidine as beige solid which was used without further purification.Under argon atmosphere, a solution of 7-Bromo-3, 5-dihydro-pyrrolo[3, 2-d]pyrimidin-4-one (500 mg, 2.33 mmol) in phosphorus(V) oxychoride (6 rriL) was refluxed for 2 hours. The reaction mixture was then cooled to room temperature, concentrated and the residue was diluted with ethyl acetate. The organic layer was washed with a solution of sodium bicarbonate, brine, dried over sodium sulfate, filtered and evaporated under reduced pressure to afford compound (66a) as a pale solid (490 mg, 2.10 mmol, 90percent) without further purification. Intermediate 98 (1.30 g, 6.07 mmol) was suspended in POCIIntermediate 98 (1.30 g, 6.07 mmol) was suspended in POCl
Computed Properties
Molecular Weight:232.46
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:230.91989
Monoisotopic Mass:230.91989
Topological Polar Surface Area:41.6
Heavy Atom Count:11
Complexity:157
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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7-bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine
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