N-(4-chloro-3-cyano-7-ethoxy-1,4-dihydroquinolin-6-yl)acetamide
N-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl)acetamide
CAS: 848133-76-6
Molecular Formula: C14H12ClN3O2
N-(4-chloro-3-cyano-7-ethoxy-1,4-dihydroquinolin-6-yl)acetamide - Names and Identifiers
N-(4-chloro-3-cyano-7-ethoxy-1,4-dihydroquinolin-6-yl)acetamide - Physico-chemical Properties
| Molecular Formula | C14H12ClN3O2 |
| Molar Mass | 289.72 |
| Density | 1.35±0.1 g/cm3(Predicted) |
| Melting Point | 250°C(lit.) |
| Boling Point | 518.6±45.0 °C(Predicted) |
| Flash Point | 267.5°C |
| Solubility | DMSO (Slightly, Heated) |
| Vapor Presure | 7.35E-11mmHg at 25°C |
| Appearance | Solid |
| Color | Light Yellow |
| pKa | 13.13±0.43(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.624 |
N-(4-chloro-3-cyano-7-ethoxy-1,4-dihydroquinolin-6-yl)acetamide - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | 22 - Harmful if swallowed |
N-(4-chloro-3-cyano-7-ethoxy-1,4-dihydroquinolin-6-yl)acetamide - Reference Information
| Introduction | N-(4-chloro-3-cyano-7-ethoxyquinolin-6-yl) acetamide is a pale yellow solid that can be dissolved in dimethyl sulfoxide. N-(4-chloro-3-cyano-7-ethoxyquinolin-6-yl) acetamide is a quinoline derivative, which is a synthetic drug of nerynx/neratinib. The key intermediates. |
| Use | N-(4-chloro-3-cyano-7-ethoxyquinolin-6-yl) acetamide can be used as a pharmaceutical intermediate and an intermediate in organic synthesis, such as the synthesis of the drug molecule lenatinib. Lenatinib as a subsequent intensive adjuvant therapy containing trastuzumab for early HER2-positive (human epidermal growth factor receptor 2-positive) overexpressed or amplified breast cancer in adult patients. |
| synthetic method | N-(4-chloro-3-cyano-7-ethoxyquinolin-6-yl) the carbonyl precursor of Acetamide (61g, 0.22 mol) and N,N-lutidine (0.85g, 5 mol%) were suspended in ethyl acetate (565 mL). The mixture was stirred at room temperature. Trichlorophosphine oxide (60 mL, 0.65 mol) was added slowly to the mixture over 1 H. The mixture was heated at reflux for 2 H to obtain a clear solution and the mixture was cooled to room temperature. The reaction solution was slowly poured into ice water (900 mL) and stirred for 1 H, the resulting solid was washed with water (80 mL x 2) and dried, the crude product (60g) suspension in DMF (180 mL) And stirred at room temperature for 1 H, filter the solid, wash the filtrate with ethyl acetate (39 mL x 3), the target product, N-(4-chloro-3-cyano-7-ethoxyquinolin-6-yl) acetamide, was obtained by drying at 50°C . |
Last Update：2024-04-10 22:29:15
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