ChemicalBook--->CAS DataBase List--->948570-75-0

948570-75-0

948570-75-0 Structure

948570-75-0 Structure
IdentificationBack Directory
[Name]

1-(2-Methoxyethyl)-4-nitro-1H-pyrazole
[CAS]

948570-75-0
[Synonyms]

1-(2-Methoxyethyl)-4-nitropyrazole
1-(2-Methoxyethyl)-4-nitro-1H-pyrazole
1H-Pyrazole, 1-(2-methoxyethyl)-4-nitro-
[Molecular Formula]

C6H9N3O3
[MDL Number]

MFCD02755678
[MOL File]

948570-75-0.mol
[Molecular Weight]

171.15
Chemical PropertiesBack Directory
[Boiling point ]

290.1±20.0 °C(Predicted)
[density ]

1.34±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[pka]

-2.29±0.10(Predicted)
[Appearance]

White to off-white Solid
Spectrum DetailBack Directory
[Spectrum Detail]

1-(2-Methoxyethyl)-4-nitro-1H-pyrazole(948570-75-0)1HNMR
Hazard InformationBack Directory
[Synthesis]

4-Nitropyrazole

2075-46-9

1-Bromo-2-methoxyethane

6482-24-2

1-(2-Methoxyethyl)-4-nitro-1H-pyrazole

948570-75-0

To a solution of 4-nitro-1H-pyrazole (113 mg, 1 mmol, 1.0 eq.) in acetonitrile (5 mL) was added 2-bromoethyl methyl ether (138 mg, 1 mmol, 1.0 eq.) and potassium carbonate (276 mg, 2 mmol, 2.0 eq.) in that order. The reaction mixture was stirred at 80 °C for 4 hours. After completion of the reaction, the reaction mixture was diluted with ethyl acetate (100 mL) and washed with water (50 mL × 2). The organic layers were combined, concentrated and purified by silica gel column chromatography (petroleum ether/ethyl acetate = 10:1) to afford 1-(2-methoxyethyl)-4-nitro-1H-pyrazole (170 mg, yield: 100%) as a colorless oil.ESI-MS (M + H): 172.1.1 1H NMR (400 MHz, CDCl3) δ: 8.23 (s, 1H) , 8.07 (s, 1H), 4.31 (t, J = 5.2 Hz, 2H), 3.74 (t, J = 5.2 Hz, 2H), 3.35 (s, 3H).

[References]

[1] Patent: WO2015/89337, 2015, A1. Location in patent: Paragraph 0223
[2] Patent: WO2015/25197, 2015, A1. Location in patent: Paragraph 00078
[3] Patent: US2014/200206, 2014, A1. Location in patent: Paragraph 0339
[4] Patent: WO2007/99326, 2007, A1. Location in patent: Page/Page column 104
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