ChemicalBook--->CAS DataBase List--->3749-47-1

3749-47-1

3749-47-1 Structure

3749-47-1 Structure
IdentificationBack Directory
[Name]

4(3H)-Pyrimidinone, 5-nitro- (8CI)
[CAS]

3749-47-1
[Synonyms]

5-NitropyriMidin-4(3H)-one
5-nitro-1H-pyrimidin-6-one
4(3H)-Pyrimidinone, 5-nitro-
4(3H)-Pyrimidinone, 5-nitro- (8CI)
[Molecular Formula]

C4H3N3O3
[MDL Number]

MFCD11557156
[MOL File]

3749-47-1.mol
[Molecular Weight]

141.08
Chemical PropertiesBack Directory
[Melting point ]

192 °C
[density ]

1.75±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[pka]

6.17±0.40(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319
[Precautionary statements ]

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

2-Propenoic acid, 3-(dimethylamino)-2-nitro-, ethyl ester, (2Z)-

64273-40-1

FORMAMIDINE HYDROCHLORIDE

6313-33-3

4(3H)-Pyrimidinone, 5-nitro- (8CI)

3749-47-1

The general procedure for the synthesis of 5-nitropyrimidin-4(3H)-one from the compound (CAS:64273-40-1) and formamidine hydrochloride was as follows: referring to the preparative scheme in Section 2.8, formamidine hydrochloride 4b (739 mg, 7.1 mmol), sodium methanol (1 M methanol solution, 7.1 mL, 7.1 mmol) and compound 5 (1.34 g, 7.1 mmol) were sequentially added to methanol (50 mL). The reaction mixture was stirred at room temperature for 24 h. Upon completion of the reaction, the light yellow solid product 6b (558 mg, 55.8% yield) was obtained. The product was characterized by the following data: melting point of 154-156 °C; 1H NMR (400 MHz, DMSO-d6) δ 8.89 (s, 1H), 8.53 (s, 1H).

[References]

[1] Bioorganic and Medicinal Chemistry, 2018, vol. 26, # 8, p. 2186 - 2197
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