|
|
| | n-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl) acetamide Basic information | | Synthesis |
| Product Name: | n-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl) acetamide | | Synonyms: | 4-Chloro-3-cyano-7-ethoxy-6-(N-acetylamino)quinoline;N-(4-chloro-3-cyano-7-ethoxy-1,4-dihydroquinolin-6-yl)acetamide;N-(4-CHLORO-3-CYANO-7-ETHOXYQUINOLINE-6-YL)ACETAMIDE;N-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl);n-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl) acetamide;N-(4-CHLORO-3-CYANO-7-ETHOXY-6-QUINOLINYL) ACETAMI;Acetamide, N-(4-chloro-3-cyano-7-ethoxy-6-quinolinyl)-;4-chloro-3-cyano-7-ethoxy-6-N-acetylquinoline | | CAS: | 848133-76-6 | | MF: | C14H12ClN3O2 | | MW: | 289.72 | | EINECS: | 619-565-5 | | Product Categories: | 848133-76-6 | | Mol File: | 848133-76-6.mol |  |
| | n-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl) acetamide Chemical Properties |
| Melting point | 250°C(lit.) | | Boiling point | 518.6±45.0 °C(Predicted) | | density | 1.35±0.1 g/cm3(Predicted) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | DMSO (Slightly, Heated) | | form | Solid | | pka | 13.13±0.43(Predicted) | | color | Light Yellow | | InChI | InChI=1S/C14H12ClN3O2/c1-3-20-13-5-11-10(4-12(13)18-8(2)19)14(15)9(6-16)7-17-11/h4-5,7H,3H2,1-2H3,(H,18,19) | | InChIKey | XDXGFTCQRAQEEG-UHFFFAOYSA-N | | SMILES | C(NC1=C(OCC)C=C2C(=C1)C(Cl)=C(C#N)C=N2)(=O)C |
| Hazard Codes | Xn | | Risk Statements | 22 | | WGK Germany | WGK 3 | | HS Code | 2933.49.7000 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral |
| | n-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl) acetamide Usage And Synthesis |
| Synthesis | The carbonyl precursor of n-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl) acetamide (61 g, 0.22 mol) and N,N-dimethylpyridine (0.85 g, 5 mol%) were suspended in ethyl acetate (565 mL). The mixture was stirred at room temperature. Triphosphine oxychloride (60 mL, 0.65 mol) was slowly added to the mixture over 1 hour. The mixture was heated under reflux for 2 hours to obtain a clear solution, and then cooled to room temperature. The reaction solution was slowly poured into ice water (900 mL) and stirred for 1 hour. The resulting solid was washed with water (80 mL x 2) and dried. The crude product (60 g) was suspended in DMF (180 mL) and stirred at room temperature for 1 hour. The solid was filtered, and the filtrate was washed with ethyl acetate (39 mL x 3). The product was dried at 50 °C to obtain the target product n-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl) acetamide. 
| | Chemical Properties | yellow powder | | Uses | N-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl)acetamide is used in synthesis of an antitumor agent, neratinib (N390090). |
| | n-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl) acetamide Preparation Products And Raw materials |
|