2-碘-4,5-二甲氧甲苯甲酸
4,5-Dimethoxy-2-iodobenzoic acid
CAS: 61203-48-3
Molecular Formula: C9H9IO4
2-碘-4,5-二甲氧甲苯甲酸 - Names and Identifiers
| Name | 4,5-Dimethoxy-2-iodobenzoic acid |
| Synonyms | 145849 2-iodo-4,5-dimethoxybenzoic acid 4,5-Dimethoxy-2-iodobenzoic acid 4,5-DIMETHOXY-2-IODOBENZOIC ACID Benzoic acid, 2-iodo-4,5-dimethoxy- |
| CAS | 61203-48-3 |
| InChI | InChI=1/C9H9IO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,1-2H3,(H,11,12) |
2-碘-4,5-二甲氧甲苯甲酸 - Physico-chemical Properties
| Molecular Formula | C9H9IO4 |
| Molar Mass | 308.07 |
| Density | 1.790±0.06 g/cm3(Predicted) |
| Melting Point | 206-208°C |
| Boling Point | 367.9±42.0 °C(Predicted) |
| Flash Point | 176.3°C |
| Vapor Presure | 4.62E-06mmHg at 25°C |
| pKa | 3.01±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.607 |
2-碘-4,5-二甲氧甲苯甲酸 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| HS Code | 29163990 |
| Hazard Class | IRRITANT |
2-碘-4,5-二甲氧甲苯甲酸 - Reference Information
| Use | 4, 5-dimethoxy-2-iodobenzoic acid is an organic intermediate that can be prepared from 3, 4-dimethoxybenzaldehyde by iodine, and then oxidized to obtain 4, 5-dimethoxy-2-iodobenzoic acid. |
| Preparation | Add iodine (3.65g,14.4mmol) and silver sulfate (4.49g,14.4mmol) to EtOH(100mL) solution of 3, 4-dimethoxybenzaldehyde (2.00g,12.0mmol) under nitrogen, and stir the mixture at room temperature for 3 hours. Remove the solvent, add water, and extract the mixture with DCM. The organic extract was washed with brine, dried with sodium sulfate, and the solvent was removed under reduced pressure. The residue was purified by rapid chromatography using petroleum ether/ethyl acetate 2 ∶ 1(v∶v) as eluent to give 2-iodo-4, 5-dimethoxybenzaldehyde (2.81g,80%). LC-MS(ES-API); 8.52 minutes at room temperature; The calculated value of m/zC9H9IO3[M H] is 293.0 and the measured value is 293.0. KMnO4(0.76g,4.79mmol) water (15mL) solution was added dropwise to a stirred solution of 2-iodo-4, 5-dimethoxybenzaldehyde (1.0g,3.42mmol) in CH3CN(25mL) at 0°C. The resulting mixture was stirred overnight at room temperature. After the reaction is complete, adjust the pH to <7 with 1NHCl. The mixture was extracted with DCM, the organic layers were combined, washed with brine, dried with sodium sulfate, and evaporated to obtain 4, 5-dimethoxy-2-iodobenzoic acid (0.89g,85%). |
Last Update：2024-04-10 22:29:15
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