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| | 2-(chloromethyl)-4-methylquinazoline Basic information |
| | 2-(chloromethyl)-4-methylquinazoline Chemical Properties |
| Melting point | 61.0 to 65.0 °C | | Boiling point | 240.0±32.0 °C(Predicted) | | density | 1.251 | | vapor pressure | 0Pa at 20℃ | | storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C | | solubility | Chloroform (Slightly), Methanol (Slightly) | | form | powder to crystal | | pka | 1.86±0.50(Predicted) | | color | Light yellow to Yellow to Orange | | Water Solubility | 3.11g/L at 20℃ | | λmax | 318nm(EtOH)(lit.) | | Major Application | pharmaceutical small molecule | | InChI | InChI=1S/C10H9ClN2/c1-7-8-4-2-3-5-9(8)13-10(6-11)12-7/h2-5H,6H2,1H3 | | InChIKey | UHCUBOJGMLASBY-UHFFFAOYSA-N | | SMILES | N1=C2C(C=CC=C2)=C(C)N=C1CCl | | LogP | 1.9 at 25℃ |
| RIDADR | 3261 | | HazardClass | 8 | | PackingGroup | III | | HS Code | 2933998090 |
| | 2-(chloromethyl)-4-methylquinazoline Usage And Synthesis |
| Chemical Properties | White to yellow powder | | Uses | 2-(Chloromethyl)-4-methylquinazoline, is a building block used for the preparation of Linagliptin (L465900), and its impurities, acting as type 2 diabetes drugs. | | Synthesis Reference(s) | Journal of Heterocyclic Chemistry, 23, p. 1263, 1986 DOI: 10.1002/jhet.5570230458 | | Flammability and Explosibility | Not classified | | Synthesis | Into a 500ml reaction flask, add o-aminoacetophenone, chloroacetonitrile, 1,4-dioxane, and N-methyl-3(3-sulfopropyl)imidazolium hydrogen sulfate prepared above. Stir to dissolve, cool the reaction system to 8°C, and dropwise add hydrochloric acid to the reaction system. The reaction temperature was kept unchanged during the dropwise addition. After that, the reaction was continued at 8°C for 18 hours to complete the reaction process. After the reaction, ammonia water (the concentration of ammonia water was 10wt%) at 5°C was added to the reaction system. After stirring and crystallizing at 5 for 30 minutes, filter to obtain a filter cake, washing the filter cake with water. Recrystallized with 200ml of dichloromethane to obtain 2-(chloromethyl)-4-methylquinazoline. yield: 85.14%
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| | 2-(chloromethyl)-4-methylquinazoline Preparation Products And Raw materials |
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