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171178-47-5

171178-47-5 Structure

171178-47-5 Structure
IdentificationBack Directory
[Name]

6-CHLORO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE
[CAS]

171178-47-5
[Synonyms]

6-CHLOROPYRIDO[3,4-D]PYRIMIDIN-4-OL
6-chloroPyrido[3,4-d]pyriMidin-4-one
6-Chloropyrido[3,4-d]pyrimidin-4(3H)
6-chloropyrido[3,4-d]pyrimidin-4(1H)-one
6-Chloro-1H-pyrido[3,4-d]pyrimidin-4-one
6-CHLORO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE
6-Chloropyrido[3,4-d]pyrimidin-4(3H)-one
Pyrido[3,4-d]pyrimidin-4(3H)-one, 6-chloro-
6-CHLORO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE ISO 9001:2015 REACH
[EINECS(EC#)]

604-604-1
[Molecular Formula]

C7H4ClN3O
[MDL Number]

MFCD11044635
[MOL File]

171178-47-5.mol
[Molecular Weight]

181.58
Chemical PropertiesBack Directory
[Boiling point ]

400.8±55.0 °C(Predicted)
[density ]

1.66±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[pka]

-1.26±0.20(Predicted)
[Appearance]

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

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

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

P261-P280-P305+P351+P338
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

6-CHLORO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE(171178-47-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

FORMAMIDINE HYDROCHLORIDE

6313-33-3

5-AMINO-2-CHLOROPYRIDINE-4-CARBOXYLIC ACID

58483-95-7

6-CHLORO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE

171178-47-5

5-Amino-2-chloropyridine-4-carboxylic acid (1000 g, 5.8 mol) and formamidine hydrochloride (1867 g, 23.2 mol) were mixed in ethylene glycol monomethyl ether (5000 mL) and sodium acetate (2360 g, 17.4 mol) was added. The reaction mixture was heated to 120 °C and maintained at this temperature for 6 hours. After completion of the reaction, it was cooled to room temperature and the reaction solution was poured into water (4000 mL) and extracted twice with ethyl acetate. The organic phases were combined, dried and concentrated to give the crude product. The crude product was filtered to give 6-chloropyrido[3,4-d]pyrimidin-4(3H)-one (924 g, 5.1 mol).

[References]

[1] Patent: CN104130256, 2016, B. Location in patent: Paragraph 0027; 0028; 0030
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