ChemicalBook--->CAS DataBase List--->13877-55-9

13877-55-9

13877-55-9 Structure

13877-55-9 Structure
IdentificationBack Directory
[Name]

7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, 1,4-DIHYDRO-
[CAS]

13877-55-9
[Synonyms]

Nsc 79301
7-ketopyrazolo(4,3-d)pyrimidine
7H-Pyrazolo[4,3-d]pyrimidin-7-one
7-Hydroxypyrazolo[4,3-d]pyrimidine
1H-Pyrazolo(4,3-D)pyrimidine-7-one
1H-pyrazolo[4,3-d]pyrimidin-7(4H)-one
2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
7-Hydroxy-1H-pyrazolo[4,3-d]pyrimidine
1H-Pyrazolo(4,3-D)pyrimidin-7-ol (8ci)
1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
1,4-dihydropyrazolo[4,3-d]pyrimidin-7-one
1,6-Dihydro-pyrazolo[4,3-d]pyrimidin-7-one
1,6-dihydro-7H-Pyrazolo[4,3-d]pyrimidin-7-one
1,4-Dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
7H-Pyrazolo[4,3-d]pyriMidin-7-one, 1,6-dihydro-
7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, 1,4-DIHYDRO-
7H-Pyrazolo[4,3-d]pyrimidin-7-one, 1,4-dihydro- (9CI)
7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, 1,4-DIHYDRO- ISO 9001:2015 REACH
[Molecular Formula]

C5H4N4O
[MDL Number]

MFCD18785745
[MOL File]

13877-55-9.mol
[Molecular Weight]

136.11
Chemical PropertiesBack Directory
[Melting point ]

>30 °C(Solv: water (7732-18-5))
[Boiling point ]

559.8±23.0 °C(Predicted)
[density ]

1.89±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

10.66±0.20(Predicted)
[Appearance]

Off-white to gray Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H302+H312+H332-H315
[Precautionary statements ]

P280-P301+P312-P362+P364
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, 1,4-DIHYDRO-(13877-55-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

1-tert-Butyl 3-Methyl 4-aMino-1H-pyrazole-1,3-dicarboxylate

923283-63-0

Formamidine acetate

3473-63-0

7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, 1,4-DIHYDRO-

13877-55-9

GENERAL STEPS: Formamidine acetate (40.3 mmol, 4.2 g) was added to a mixed solution of Hunig base (40 mL) and n-butanol (n-BuOH, 40 mL) containing 1-tert-butyl 3-methyl 4-amino-1H-pyrazole-1,3-dicarboxylic acid (26, 8.85 g, 36.7 mmol). The reaction mixture was heated with stirring at 110 °C for 1 hour. After completion of the reaction, it was cooled to room temperature and the precipitated solid product was collected. The solid was washed with dichloromethane and then dried under reduced pressure to afford 7-hydroxypyrazolo[4,3-D]pyrimidine (27, 4.46 g, 89% yield). The structure of the product was confirmed by electrospray mass spectrometry (ES(+)MS), m/e = 137.

[References]

[1] Patent: US2007/27166, 2007, A1. Location in patent: Page/Page column 84-85
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