14080-23-0
2-Cyanopyrimidine
CAS: 14080-23-0
Molecular Formula: C5H3N3
14080-23-0 - Names and Identifiers
| Name | 2-Cyanopyrimidine |
| Synonyms | 2CPM 2-CPY 2-Cyanopyrimide 2-cyanpyrimidine 2-Cynopyrimidine 2-CYANOPYRIMIDINE 2-Cyanopyrimidine 2-Pyrimidinecarbonitrile 2-PYRIMIDINECARBONITRILE PYRIMIDINE-2-CARBONITRILE pyrimidine-2-carbonitrile 2-Pyrimidinecarbonitrile (6CI,7CI,8CI,9CI) |
| CAS | 14080-23-0 |
| EINECS | 604-202-5 |
| InChI | InChI=1/C5H3N3/c6-4-5-7-2-1-3-8-5/h1-3H |
| InChIKey | IIHQNAXFIODVDU-UHFFFAOYSA-N |
14080-23-0 - Physico-chemical Properties
| Molecular Formula | C5H3N3 |
| Molar Mass | 105.1 |
| Density | 1.22±0.1 g/cm3(Predicted) |
| Melting Point | 40-44 °C (lit.) |
| Boling Point | 250.7±23.0 °C(Predicted) |
| Flash Point | >230°F |
| Solubility | soluble in Methanol |
| Vapor Presure | 0.0214mmHg at 25°C |
| Appearance | Solid |
| Color | White to yellow |
| pKa | -3.27±0.13(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.54 |
| MDL | MFCD00160513 |
| Physical and Chemical Properties | Melting point 40-44°C flash point> 110°C |
| Use | Used as a pharmaceutical Intermediate |
| In vitro study | 2-Cyanopyrimidine is a 2-cyano-4-cyclohexylamino-pyrimidine derivative. Cathepsin K is a lysosomal cysteine protease. |
14080-23-0 - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R43 - May cause sensitization by skin contact R34 - Causes burns R11 - Highly Flammable R25 - Toxic if swallowed |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S16 - Keep away from sources of ignition. S36/37 - Wear suitable protective clothing and gloves. |
| UN IDs | 3276 |
| WGK Germany | 3 |
| HS Code | 29335990 |
| Hazard Note | Harmful |
| Hazard Class | IRRITANT |
| Packing Group | Ⅲ |
14080-23-0 - Reference Information
| Preparation process of 2-cyanopyrimidine, the key intermediate of bosentan drug | Alkyl benzene is used as the reaction solvent, cuprous iodide, potassium iodide and N,N'-dimethylethylenediamine are used as the combined catalyst, 2-bromopyrimidine and sodium cyanide are reacted at 100~150 ℃ for 20~48 hours under the protection of nitrogen, and then filtered, and the filtrate is washed, dried, and concentrated, 2-cyanopyrimidine was obtained by recrystallization separation with petroleum ether. The molar equivalent ratio of 2-bromopyrimidine to sodium cyanide is 1 ∶ 1.0~2.0; the amount of cuprous iodide is 5 ~ 30% molar equivalent of 2-bromopyrimidine; the amount of potassium iodide is 1.5~3 molar equivalent of cuprous iodide; the amount of N,N'-dimethylethylenediamine is 1~1.5 molar equivalent of 2-bromopyrimidine. Compared with the existing synthesis method, the invention has the following advantages: 1) the reaction condition is mild, 2) the reaction process is short, 3) the use of cheap reagents, 4) the feeding and post-treatment are very simple, easy to achieve large-scale industrial production. |
| biological activity | 2-cyano-Pyrimidine is a cathepsin K inhibitor with IC50 of 170 nM. |
| Target | Value |
| Cathepsin K () | 170 nM |
| use | as a pharmaceutical intermediate |
Last Update：2024-04-09 15:16:47
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