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| Product Name: | 2-CHLORO-7-METHOXY-QUINOLINE-3-CARBALDEHYDE | | Synonyms: | AKOS NCG-0061;AKOS BBS-00006540;2-CHLORO-7-METHOXY-3-QUINOLINECARBALDEHYDE;2-CHLORO-7-METHOXY-QUINOLINE-3-CARBALDEHYDE;2-Chloro-7-methoxyquinoline-3-carboxaldehyde;2-Chloro-3-formyl-7-methoxyquinoline, 2-Chloro-3-formyl-7-methoxy-1-azanaphthalene;3-Quinolinecarboxaldehyde,2-chloro-7-methoxy-;2-Chloro-7-methoxyquinoline-2-carbaldehyde | | CAS: | 68236-20-4 | | MF: | C11H8ClNO2 | | MW: | 221.64 | | EINECS: | | | Product Categories: | | | Mol File: | 68236-20-4.mol |  |
| | 2-CHLORO-7-METHOXY-QUINOLINE-3-CARBALDEHYDE Chemical Properties |
| Melting point | 196-198°C | | Boiling point | 373.9±37.0 °C(Predicted) | | density | 1.348±0.06 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | form | solid | | pka | -1.00±0.50(Predicted) | | Appearance | Pink to red Solid | | InChI | 1S/C11H8ClNO2/c1-15-9-3-2-7-4-8(6-14)11(12)13-10(7)5-9/h2-6H,1H3 | | InChIKey | WRXZCLBKDXISQA-UHFFFAOYSA-N | | SMILES | COC1=CC=C2C=C(C(Cl)=NC2=C1)C=O |
| Hazard Codes | Xn | | Risk Statements | 36-22 | | Safety Statements | 26 | | WGK Germany | WGK 3 | | HazardClass | IRRITANT | | HS Code | 2933499090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Irrit. 2 |
| | 2-CHLORO-7-METHOXY-QUINOLINE-3-CARBALDEHYDE Usage And Synthesis |
| Preparation | The preparation of 2-CHLORO-7-METHOXY-QUINOLINE-3-CARBALDEHYDE is as follows: N-p-tolylacetamide (2b) (0.05 mol) was dissolved in 9.6 mL of dimethylformamide (0.125 mol), and 32 mL of phosphorus oxychloride (0.35 mol) was gradually added to the solution at 0 °C. The reaction mixture was placed in a round-bottom flask (RBF) equipped with a reflux condenser and a drying tube, and heated in an oil bath at 75-80 °C for 4-16 hours. The solution was then cooled to room temperature and subsequently poured into 100 mL of ice water. The precipitate was collected by filtration and recrystallized from ethyl acetate to give 2-CHLORO-7-METHOXY-QUINOLINE-3-CARBALDEHYDE, yield 75%; MP 122-123℃ (literature 123℃); FT-IR (ATR) ⁻¹ (cm⁻¹): 3051 (aromatic CH), 2873 (aldehyde CH), 1686 (C=O), 1576 (C=N), 1055 (C-Cl); ¹H NMR (400 MHz, chloroform-d): ⁻¹ 0.55 (s, 1H), 8.66 (s, 1H), 7.96 (d, J = 8.5 Hz, 1H), 7.79-7.63 (m, 2H), 2.57 (s, 3H); MS-API: [M+H] + 206.02 (calculated 205.03). | | Application | 2-Chloro-7-methoxy-3-quinoline carbaldehyde can be used as a pharmaceutical synthesis intermediate. |
| | 2-CHLORO-7-METHOXY-QUINOLINE-3-CARBALDEHYDE Preparation Products And Raw materials |
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