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877676-50-1

877676-50-1 Structure

877676-50-1 Structure
IdentificationBack Directory
[Name]

(R)-2-chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydropteridin-6(5H)-one
[CAS]

877676-50-1
[Synonyms]

2-Chloro-7-ethyl-8-isopropyl-5-Methyl-7,8-dihydro-5H-pteridin-6-one
(R)-2-chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydropteridin-6(5H)-one
(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydro-5H-pteridin-6-one
(7R)-2-Chloro-7-ethyl-7,8-dihydro-5-methyl-8-(1-methylethyl)-6(5H)-pteridinone
(7R)-2-chloro-7-ethyl-5-methyl-8-(propan-2-yl)-5,6,7,8-tetrahydropteridin-6-one
6(5H)-Pteridinone, 2-chloro-7-ethyl-7,8-dihydro-5-Methyl-8-(1-Methylethyl)-, (7R)-
(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydropyrimido[4,5-b]pyrazine
[Molecular Formula]

C12H17ClN4O
[MDL Number]

MFCD16621126
[MOL File]

877676-50-1.mol
[Molecular Weight]

268.74
Chemical PropertiesBack Directory
[Boiling point ]

492.1±40.0 °C(Predicted)
[density ]

1.205
[storage temp. ]

Inert atmosphere,2-8°C
[pka]

1.48±0.40(Predicted)
[Appearance]

white solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydropteridin-6(5H)-one is a compound that has been involved in the preparation of selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce α-synuclein phosphorylation in rat brain.
[Synthesis]

(R)-2-chloro-7-ethyl-8-isopropyl-7,8-dihydropteridin-6(5H)-one

889877-77-4

Dimethyl carbonate

616-38-6

(R)-2-chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydropteridin-6(5H)-one

877676-50-1

A reaction was carried out in 30 mL of potassium carbonate suspension with (R)-2-chloro-7-ethyl-8-isopropyl-7,8-dihydropteridin-6(5H)-one (27.5 mmol, 7 g) and dimethyl carbonate (41 mmol, 5.7 g). The reaction mixture was placed in an autoclave, heated to 130 °C and maintained for 5 hours. Upon completion of the reaction, the mixture was cooled to 25°C. Subsequently, 25 mL of deionized water and 15 mL of ethyl acetate were added and mixed with stirring. The organic phase was concentrated by distillation under reduced pressure. To the residue, 25 mL of ethanol and 45 mL of deionized water were added and heated to 60°C to dissolve. The solution was cooled to room temperature and the precipitate was collected by filtration. The precipitate was washed with a mixture of softened water and ethanol (2:1 volume ratio). Finally, the product was dried in a vacuum drying oven at 50 °C to afford (R)-2-chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydropteridin-6(5H)-one (6 g, 82% yield).

[References]

[1] Patent: WO2007/90844, 2007, A1. Location in patent: Page/Page column 14
[2] Patent: WO2009/19205, 2009, A1. Location in patent: Page/Page column 14
Spectrum DetailBack Directory
[Spectrum Detail]

(R)-2-chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydropteridin-6(5H)-one(877676-50-1)1HNMR
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