AI3-52033
2-chloro-5-nitropyrimidin-4-amine
CAS: 1920-66-7
Molecular Formula: C4H3ClN4O2
AI3-52033 - Names and Identifiers
| Name | 2-chloro-5-nitropyrimidin-4-amine |
| Synonyms | AI3-52033 IFLAB-BB F1930-0037 2-CHLORO-5-NITRO-4-PYRIMIDINAMINE 2-CHLORO-5-NITROPYRIMIDIN-4-AMINE 2-chloro-5-nitropyrimidin-4-amine 4-amino-2-chloro-5-nitropyrimidine 4-AMINO-2-CHLORO-5-NITROPYRIMIDINE 2-Chloro-5-nitro-6-aminopyrimidine 2-Chloro-5-nitropyrimidine-4-amine 4-Pyrimidinamine, 2-chloro-5-nitro- |
| CAS | 1920-66-7 |
| EINECS | 217-648-7 |
| InChI | InChI=1/C4H3ClN4O2/c5-4-7-1-2(9(10)11)3(6)8-4/h1H,(H2,6,7,8) |
AI3-52033 - Physico-chemical Properties
| Molecular Formula | C4H3ClN4O2 |
| Molar Mass | 174.55 |
| Density | 1.712±0.06 g/cm3(Predicted) |
| Melting Point | 221-226 °C |
| Boling Point | 446.0±25.0 °C(Predicted) |
| Flash Point | 223.5°C |
| Water Solubility | Slightly soluble in water. |
| Vapor Presure | 3.79E-08mmHg at 25°C |
| Appearance | Solid |
| pKa | -1.22±0.10(Predicted) |
| Storage Condition | under inert gas (nitrogen or Argon) at 2–8 °C |
| Refractive Index | 1.67 |
| MDL | MFCD00127771 |
| Physical and Chemical Properties |
|
AI3-52033 - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. R43 - May cause sensitization by skin contact |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| HS Code | 29335990 |
AI3-52033 - Reference Information
| Use | 2-chloro-4-amino-5-nitropyrimidine is an organic intermediate. It has been reported in the literature that it can be used to prepare new 8-oxodihydropurine derivatives, such as 2-chloro-7-methyl-7, 9-dihydro-8H-purine-8-ketones. 8-oxodihydropurine derivatives show an inhibitory effect on fatty acid amide hydrolase and can be used to treat or prevent depression, anxiety or pain. |
| Preparation | 2-chloro-4-amino-5-nitropyrimidine can be obtained by nucleophilic substitution of 2, 4-dichloro-5-nitropyrimidine with ammonia. Dichloromethane solution of compound 2,4-dichloro-5-nitropyrimidine (30g, 15436 mmol) was added dropwise to ammonia water (24 ml) and diisopropylamine (37.2 ml) dichloromethane (400 ml) solution at 0 ℃ and stirred at 0 ℃ for 1 hour. The reaction liquid is filtered and the filter cake is dried to obtain the yellow solid compound 2-chloro-4-amino-5-nitropyrimidine (25g, 92.6% yield). |
Last Update：2024-04-10 22:29:15
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CAS: 1920-66-7
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