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ChemicalBook--->CAS DataBase List--->155690-79-2

155690-79-2

155690-79-2 Structure

155690-79-2 Structure
IdentificationBack Directory
[Name]

6-BROMOPYRIDO[2,3-D]PYRIMIDIN-4(1H)-ONE
[CAS]

155690-79-2
[Synonyms]

6-BroMo-3H-pyrido[2,3-d]p...
6-bromopyrido[2,3-d]pyrimidin-4-ol
6-Bromopyrido[2,3-d]pyrimidin-4(1H)
6-BroMo-3H-pyrido[2,3-d]pyriMidin-4-one
6-bromopyrido[2,3-d]pyrimidin-4(3H)-one
6-Bromo-1H-pyrido[2,3-d]pyrimidin-4-one
6-BROMOPYRIDO[2,3-D]PYRIMIDIN-4(1H)-ONE
6-bromo-3H,4H-pyrido[2,3-d]pyrimidin-4-one
Pyrido[2,3-d]pyrimidin-4(3H)-one, 6-bromo-
6-BROMOPYRIDO[2,3-D]PYRIMIDIN-4(1H)-ONE ISO 9001:2015 REACH
[Molecular Formula]

C7H4BrN3O
[MDL Number]

MFCD11040199
[MOL File]

155690-79-2.mol
[Molecular Weight]

226.03
Chemical PropertiesBack Directory
[Boiling point ]

455.3±30.0 °C(Predicted)
[density ]

2.01±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

9.20±0.20(Predicted)
[Appearance]

Light yellow to yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

6-BROMOPYRIDO[2,3-D]PYRIMIDIN-4(1H)-ONE(155690-79-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

Formamidine acetate

3473-63-0

2-Amino-5-bromobenzoic acid

5794-88-7

6-BROMOPYRIDO[2,3-D]PYRIMIDIN-4(1H)-ONE

155690-79-2

The general procedure for the synthesis of 6-bromopyrido[2,3-d]pyrimidin-4(1H)-ones from formamidine acetate and 2-amino-5-bromobenzoic acid was as follows: formamidine acetate (1 eq.) was added to a 1.2 M solution of 2-amino-5-bromobenzoic acid (1 eq.) in N,N-dimethylformamide. The reaction mixture was heated to reflux and stirred at this temperature for 16 hours. Upon completion of the reaction, the mixture was cooled to room temperature, followed by the slow addition of a 5% aqueous NaHCO3 solution (3 volumes) with vigorous stirring. The resulting precipitate was collected by filtration and washed sequentially with water (2 x 1 volume) and tert-butyl methyl ether (2 x 1 volume). Finally, the product was dried in a vacuum oven to afford 6-bromopyrido[2,3-d]pyrimidin-4(1H)-one without further purification. The product yield was 91% and LC-MS analysis showed m/z of 225 [M-H]? and retention time of 2.31 min.

[References]

[1] Patent: WO2008/23161, 2008, A1. Location in patent: Page/Page column 111-112
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