3-Methyl-2-nitro-3H-imidazole-4-carboxylic acid methyl ester
- CAS NO.：40361-79-3
- Empirical Formula: C6H7N3O4
- Molecular Weight: 185.14
- MDL number: MFCD06738745
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-05-28 02:27:12
What is 3-Methyl-2-nitro-3H-imidazole-4-carboxylic acid methyl ester?
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%.
Properties of 3-Methyl-2-nitro-3H-imidazole-4-carboxylic acid methyl ester
| 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 information for 3-Methyl-2-nitro-3H-imidazole-4-carboxylic acid methyl ester
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3-Methyl-2-nitro-3H-imidazole-4-carboxylic acid methyl ester
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