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19178-25-7

19178-25-7 Structure

19178-25-7 Structure
IdentificationBack Directory
[Name]

Pyrido[3,4-d]pyrimidin-4(3H)-one (8CI,9CI)
[CAS]

19178-25-7
[Synonyms]

Pyrido[3.4-d]pyrimidin-4-ol
Pyrido[3,4-d]pyriMidin-4-one
Pyrido[3,4-d]pyrimidin-4(3H)
1H-pyrido[3,4-d]pyrimidin-4-one
3H-Pyrido[3,4-d]pyrimidin-4-one
Pyrido[3,4-d]pyriMidin-4(3H)-one
3H,4H-Pyrido[3,4-d]pyrimidin-4-one
3,4-Dihydropyrido[3,4-d]pyrimidin-4-one
Pyrido[3,4-d]pyrimidin-4(3H)-one (8CI,9CI)
Pyrido[3,4-d]pyrimidin-4(3H)-one (8CI,9CI) ISO 9001:2015 REACH
[Molecular Formula]

C7H5N3O
[MDL Number]

MFCD09999183
[MOL File]

19178-25-7.mol
[Molecular Weight]

147.13
Chemical PropertiesBack Directory
[Melting point ]

305℃
[Boiling point ]

346.2±34.0 °C(Predicted)
[density ]

1.47±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

2.95±0.20(Predicted)
[Appearance]

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

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332
[Precautionary statements ]

P260-P280-P312
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

Pyrido[3,4-d]pyrimidin-4(3H)-one (8CI,9CI)(19178-25-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

Formamidine acetate

3473-63-0

3-Aminoisonicotinic acid

7579-20-6

Pyrido[3,4-d]pyrimidin-4(3H)-one (8CI,9CI)

19178-25-7

3-Aminoisonicotinic acid (691 mg, 5.0 mmol), formamidine acetate (573 mg, 5.5 mmol) and anhydrous ethanol (10 mL) were added to a Biotage microwave reactor tube. The reaction mixture was placed in a microwave reactor and heated at 160 °C for 30 min. After completion of the reaction, the reaction solution was diluted with deionized water (20 mL) and cooled to 0 °C in an ice bath. The resulting suspension was extracted and the filter cake was washed with ice-cooled deionized water (10 mL) to afford quinazoline A2 (259 mg, 35% yield) in white solid form. The product was analyzed by LC-MS showing purity >98% (m/z = 148.0 [M + H]+, retention time Rt = 0.604 min).

[References]

[1] Journal of Medicinal Chemistry, 2016, vol. 59, # 4, p. 1370 - 1387
[2] Patent: WO2014/179237, 2014, A1. Location in patent: Paragraph 00491
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