2-chloropyrimidine-4-carbonitrile
2-chloropyrimidine-4-carbonitrile
CAS: 75833-38-4
Molecular Formula: C5H2ClN3
2-chloropyrimidine-4-carbonitrile - Names and Identifiers
2-chloropyrimidine-4-carbonitrile - Physico-chemical Properties
| Molecular Formula | C5H2ClN3 |
| Molar Mass | 139.54 |
| Density | 1.43 |
| Melting Point | 53-55° |
| Boling Point | 331.3±15.0 °C(Predicted) |
| Flash Point | 188.372°C |
| Vapor Presure | 0mmHg at 25°C |
| Appearance | Crystalline powder |
| pKa | -4.96±0.20(Predicted) |
| Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
| Refractive Index | 1.6 |
| MDL | MFCD00234989 |
2-chloropyrimidine-4-carbonitrile - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| 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. |
| UN IDs | 3439 |
| WGK Germany | 3 |
| HS Code | 29335990 |
| Hazard Class | IRRITANT |
2-chloropyrimidine-4-carbonitrile - Reference Information
| Introduction | 2-chloro-4-cyanopyrimidine is a pyrimidine ring derivative. Pyrimidine ring is one of the most common heterocyclic ring in drugs and natural products. Pyrimidine heterocyclic compounds, as intermediates for the synthesis of such drugs, have important applications in the field of medicine, widely used in the research and development of anticancer drugs, anti-AIDS drugs and so on. |
| Application | 2-chloro-4-cyanopyrimidine can be used to prepare 2-chloropyrimidine-4-carboxylic acid, 2-chloropyrimidine-4-carboxylic acid can be used as a key intermediate for the treatment of hyperphosphatemia and the synthesis of benzenesulfonamide pyrazole kinase inhibitors, and has been widely used in the synthesis of many pharmaceutical intermediates at home and abroad, with its good market prospects. |
| preparation | 100g of 2-hydroxy-4-methylpyrimidine are dispersed in 275 of 6 mol/L dilute hydrochloric acid and mixed in a reactor, cool to 0-5 ℃, Dropwise add 63g of sodium nitrite dissolved in 50 ml of water solution, after the sodium nitrite aqueous solution is added dropwise, keep the reaction at 0-5 ℃ for 2-5 hours, filter and dry to obtain 110g of intermediate, directly used in the next reaction; 100g of intermediate was suspended in 500 ml of phosphorus oxychloride, and 50 ml of triethylamine was added dropwise, which produced a lot of white smoke and the temperature was obviously raised, the mixture was heated to 100 ° C., and the reaction was maintained for 3-4 hours. The mixture was cooled and concentrated under reduced pressure to remove excess phosphorus oxychloride, and the residue was slowly poured into 1kg of crushed ice and stirred for about 1 hour, extract with 200 ml of ethyl acetate, then wash with saturated aqueous sodium bicarbonate solution until PH is neutral, then wash with saturated aqueous sodium chloride solution once, and then dry with anhydrous sodium sulfate, after concentration, the product was recrystallized to give 66.7G of 2-chloro-4-cyanopyrimidine with a purity of more than 98% and a yield of 66%. |
Last Update：2024-04-09 21:32:08
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View History
2-chloropyrimidine-4-carbonitrile
Triamcinolone aceton
2-(4-Isocyanatophenyl)pyrimidine
5-Pyrimidinecarboxaldehyde, 4-amino-2-methyl- (6CI,7CI,8CI,9CI)
乐伐替尼中间体2
2,2,3-Butanetricarboxylic acid, 3-methyl-, 1,2,4-trimethyl ester
BENZYL-N-OCTYLADIPATE
4-氯-D-苯丙氨酸盐酸盐
7757-86-0
甲基丁二酸
Triamcinolone aceton
2-(4-Isocyanatophenyl)pyrimidine
5-Pyrimidinecarboxaldehyde, 4-amino-2-methyl- (6CI,7CI,8CI,9CI)
乐伐替尼中间体2
2,2,3-Butanetricarboxylic acid, 3-methyl-, 1,2,4-trimethyl ester
BENZYL-N-OCTYLADIPATE
4-氯-D-苯丙氨酸盐酸盐
7757-86-0
甲基丁二酸