5-Quinoxalinecarboxaldehyde, 7-bromo-2,3-dimethoxy- CAS#: 187479-66-9; 凯望编码 (ChemWhat Code): 1491441
Identification
| 英文名 | 5-Quinoxalinecarboxaldehyde, 7-bromo-2,3-dimethoxy- |
| IUPAC Name | 7-bromo-2,3-dimethoxyquinoxaline-5-carbaldehyde |
| 分子结构 |  |
| CAS编号 | 187479-66-9 |
| 别名 | 7-Bromo-5-formyl-2,3-dimethoxy-quinoxaline 187479-66-9 SCHEMBL8078939 VJEIGKGDNHGYNW-UHFFFAOYSA-N DB-341967 |
| 分子式 | C11H9BrN2O3 |
| 分子量 | 297.1 |
| InChI | InChI=1S/C11H9BrN2O3/c1-16-10-11(17-2)14-9-6(5-15)3-7(12)4-8(9)13-10/h3-5H,1-2H3 |
| InChI Key | VJEIGKGDNHGYNW-UHFFFAOYSA-N |
| SMILES | COC1=NC2=CC(=CC(=C2N=C1OC)C=O)Br |
Physical Data
| Appearance | Off-white to light yellow powder |
| Melting Point, °C | Solvent (Melting Point) |
| 179 – 182 |
Spectra
No data available
Route of Synthesis (ROS)
| Conditions | Yield |
| With sodium In methanol; water Experimental Procedure 68.b b b 7-Bromo-5-formyl-2,3-dimethoxy-quinoxaline 1.38 g (60 mmol) of sodium are dissolved in portions, at 0° C. under N2, in 200 ml of methanol. At 0° C., 5.85 ml (65 mmol) of 2-nitropropane are added dropwise. 18.1 g (50 mmol) of 5-(bromomethyl)-7-bromo-2,3-dimethoxy-quinoxaline are then added. The beige suspension is heated to reflux and stirred for 1 hour. The reaction mixture is poured onto 600 ml of water and the methanol is distilled off. The residue is extracted twice with ethyl acetate, and the organic phases are dried over sodium sulfate and filtered with suction. The filtrate is concentrated and the residue is dried under a high vacuum. 7-Bromo-5-formyl-2,3-dimethoxy-quinoxaline is obtained in the form of beige crystals having a melting point of 179-182° C. |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
Other Data
| Transportation | Under the room temperature and away from light |
| HS Code | |
| Storage | Storge at 2~8℃ and keep away from light |
| Shelf Life | 2 years |
| Market Price |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 297.108 |
| logP | 2.474 |
| HBA | 3 |
| HBD | 0 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 61.31 |
| Rotatable Bond (RotB) | 3 |
| Matching Veber Rules | 2 |
| Use Pattern |
| 5-Quinoxalinecarboxaldehyde, 7-bromo-2,3-dimethoxy- CAS#: 187479-66-9 is mainly used as a pharmaceutical intermediate and building block for heterocyclic compound synthesis. |
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认证生产商 | |
| Caming Pharmaceutical Limited | http://www.caming.com/ |
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| Watson International Limited | 访问Watson官网 |
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