ChemicalBook--->CAS DataBase List--->21038-67-5

21038-67-5

21038-67-5 Structure

21038-67-5 Structure
IdentificationBack Directory
[Name]

PYRIDO[3,4-D]PYRIMIDINE-2,4(1H,3H)-DIONE
[CAS]

21038-67-5
[Synonyms]

pyrido[3,4-d]pyriMidine-2,4-diol
2,4-Dihydroxypyrido[3,4-d]pyrimidine
1H-pyrido[3,4-d]pyrimidine-2,4-dione
PYRIDO[3,4-D]PYRIMIDINE-2,4(1H,3H)-DIONE
Pyrido[3,4-d]pyrimidine-2,4(1h,3h)-dione 95%
1H,2H,3H,4H-pyrido[2,3-d]pyriMidine-2,4-dione
1H,2H,3H,4H-Pyrido[3,4-d]pyrimidine-2,4-dione
[Molecular Formula]

C7H5N3O2
[MDL Number]

MFCD07438024
[MOL File]

21038-67-5.mol
[Molecular Weight]

163.13
Chemical PropertiesBack Directory
[Melting point ]

>320 °C
[density ]

1.424±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

9.01±0.20(Predicted)
[Appearance]

Off-white to gray 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]

PYRIDO[3,4-D]PYRIMIDINE-2,4(1H,3H)-DIONE(21038-67-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

3-AMINO-4-PYRIDINECARBOXAMIDE

64188-97-2

Triphosgene

32315-10-9

PYRIDO[3,4-D]PYRIMIDINE-2,4(1H,3H)-DIONE

21038-67-5

To a solution of 3-aminopyridine-4-carboxamide (5 g, 36.5 mmol) in tetrahydrofuran (THF, 100 mL) was sequentially added triphosgene (11.9 g, 40.1 mmol) and triethylamine (TEA, 7.4 g, 73 mmol). The reaction mixture was heated to reflux for 2 hours. After completion of the reaction, the solution was concentrated under reduced pressure and the residue was ground with an appropriate amount of water. The solid product was collected by filtration and washed sequentially with water and THF. The solid was dried to give pyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione 4.1 g in 70% yield. The structure of the product was confirmed by 1H NMR (400 MHz, DMSO-d6): δ 11.62 (s, 1H), 11.58 (s, 1H), 8.66 (s, 1H), 8.40 (d, 1H, J = 5.2 Hz), 7.80 (d, 1H, J = 5.2 Hz).

[References]

[1] Patent: WO2014/151106, 2014, A1. Location in patent: Paragraph 00108
[2] Patent: WO2016/44429, 2016, A1. Location in patent: Paragraph 00154; 00155
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