42098-25-9
5-Chloro-1-methyl-4-nitro-1H-pyrazole
CAS: 42098-25-9
Molecular Formula: C4H4ClN3O2
42098-25-9 - Names and Identifiers
| Name | 5-Chloro-1-methyl-4-nitro-1H-pyrazole |
| Synonyms | 100082 5-Chloro-1-methyl-4-nitropyrazole 5-Chloro-1-methyl-4-nitro-1H-pyrazole 5-chloro-1-Methyl-4-nitro-1H-pyrazole 5-CHLORO-1-METHYL-4-NITRO-1H-IMADAZOLE 1H-Pyrazole, 5-chloro-1-Methyl-4-nitro- |
| CAS | 42098-25-9 |
| InChI | InChI=1S/C4H4ClN3O2/c1-7-4(5)3(2-6-7)8(9)10/h2H,1H3 |
42098-25-9 - Physico-chemical Properties
| Molecular Formula | C4H4ClN3O2 |
| Molar Mass | 161.55 |
| Density | 1.65 |
| Melting Point | 135-137℃ |
| Boling Point | 273℃ |
| Flash Point | 119℃ |
| pKa | -3.31±0.10(Predicted) |
| Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
| MDL | MFCD21607270 |
42098-25-9 - Risk and Safety
| HS Code | 29331990 |
42098-25-9 - Preparation solution concentration reference
| 1mg | 5mg | 10mg | |
|---|---|---|---|
| 1 mM | 6.19 ml | 30.95 ml | 61.9 ml |
| 5 mM | 1.238 ml | 6.19 ml | 12.38 ml |
| 10 mM | 0.619 ml | 3.095 ml | 6.19 ml |
| 5 mM | 0.124 ml | 0.619 ml | 1.238 ml |
Last Update：2024-01-02 23:10:35
42098-25-9 - Reference Information
| Application | 5-chloro-1-methyl-4-nitropyrazole can be used as an intermediate in organic synthesis and a pharmaceutical intermediate for laboratory research and development processes and synthesis of pharmaceutical chemicals. |
| Preparation | Using 5-chloropyrazole as the starting material, 5-chloro-4-nitropyrazole is prepared by nitration reaction with nitrosulfur mixed acid, and then methylation with iodomethane to prepare the target compound 5-chloro-1-methyl-4-nitropyrazole. The reaction formula for the synthesis of 5-chloro-1-methyl-4-nitropyrazole is shown in the following figure: Experimental operation: Synthesis of 5-chloro-4-nitropyrazole 5-chloropyrazole is added to the 25 mL 98% concentrated sulfuric acid in batches to completely dissolve it; 50 mL of prepared nitrate-sulfur mixed acid is slowly added to the four-mouth bottle dropwise, after the dropwise addition, the oil bath is heated to 100 ℃, after the reaction for 5 h, the reaction was stopped and cooled to room temperature. The reaction solution was poured into 200 mL of crushed ice. After the ice was completely melted, white precipitate was precipitated, filtered and dried. The filtrate was extracted with ether, and the products of suction filtration and extraction were combined. Then toluene was recrystallized to prepare 5-chloro-4-nitropyrazole. Synthesis of 5-chloro-1-methyl-4-nitropyrazole 5-chloro-4-nitropyrazole is added and dissolved in 50 ml of N,N-dimethylformamide (DMF), then sodium hydroxide is added, stirred and dissolved, reacted for 2 hours, nitrogen is introduced in ice water bath, 2.5 mL of methyl iodide (dissolved in 20 mL DMF) is slowly added dropwise, and the temperature is raised to 40 ℃ for 10 hours after dropping. Cool to room temperature, pour into 200 mL distilled water, wash out light yellow solid, wash with distilled water several times, and dry. The target compound, 5-chloro-1-methyl-4-nitropyrazole, was obtained. |
Last Update：2024-04-09 02:00:00
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CAS: 42098-25-9
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