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40361-79-3

40361-79-3 Structure

40361-79-3 Structure
IdentificationBack Directory
[Name]

3-METHYL-2-NITRO-3H-IMIDAZOLE-4-CARBOXYLIC ACID METHYL ESTER
[CAS]

40361-79-3
[Synonyms]

methyl 1-methyl-2-nitro-imidazole-5-carboxylate
3-Methyl-2-nitro-3H-imidazole-4-carboxylic acid
Methyl 3-methyl-2-nitro-3H-imidazole-4-carboxylate
3-methyl-2-nitro-4-imidazolecarboxylic acid methyl ester
3-METHYL-2-NITRO-3H-IMIDAZOLE-4-CARBOXYLIC ACID METHYL ESTER
1H-Imidazole-5-carboxylic acid, 1-methyl-2-nitro-, methyl ester
[Molecular Formula]

C6H7N3O4
[MDL Number]

MFCD06738745
[MOL File]

40361-79-3.mol
[Molecular Weight]

185.14
Chemical PropertiesBack Directory
[Boiling point ]

374.6±34.0 °C(Predicted)
[density ]

1.49±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

-1.69±0.25(Predicted)
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
Hazard InformationBack Directory
[Synthesis]

1-methyl-2-nitro-1H-imidazole-5-carboxylic acid methyl ester 1c (50g, 0.27mol) was dissolve in 500mL tetrahydrofuran, followed by dropwise add methanol (13g, 0.4mol, 1.5eq) at 0 ℃. A solution of lithium hydride in tetrahydrofuran (2M, 202 mL, 1.5 eq) was added, and the reaction was incubated at 0 ℃ for 1 hour. The reaction solution was quenched by adding 500 mL of water, and extracted with ethyl acetate (500 mL × 3). The organic phases were combined, dried over anhydrous sodium sulfate, filtered, and concentrated under reduced pressure. The residue was added with dichloromethane (200 mL) and filtered to obtain 3-Methyl-2-nitro-3H-imidazole-4-carboxylic acid methyl ester(31 g, 0.2 mol, yellow solid), yield: 73%.
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