AKOS 327
3,5-Dimethoxybenzamide
CAS: 17213-58-0
Molecular Formula: C9H11NO3
AKOS 327 - Names and Identifiers
| Name | 3,5-Dimethoxybenzamide |
| Synonyms | AKOS 327 Dimethoxybenzamide 3,5-DiMethoxybenzaMi 3,5-Dimethoxybenzamide 3,5-DIMETHOXYBENZAMIDE Benzamide, 3,5-dimethoxy- |
| CAS | 17213-58-0 |
| EINECS | 241-257-0 |
| InChI | InChI=1/C9H11NO3/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H2,10,11) |
AKOS 327 - Physico-chemical Properties
| Molecular Formula | C9H11NO3 |
| Molar Mass | 181.19 |
| Density | 1.2375 (rough estimate) |
| Melting Point | 145-148 °C (lit.) |
| Boling Point | 314.29°C (rough estimate) |
| Flash Point | 133.2°C |
| Vapor Presure | 0.00272mmHg at 25°C |
| Appearance | White crystal powder |
| BRN | 2641361 |
| pKa | 15.62±0.50(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5270 (estimate) |
| MDL | MFCD00007987 |
AKOS 327 - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S24/25 - Avoid contact with skin and eyes. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| HS Code | 29242990 |
AKOS 327 - Reference Information
| use | 3, 5-dimethoxybenzamide can be used as an intermediate in pharmaceutical synthesis. |
| Preparation | 3, 5-dimethoxybenzamide can be made of 3, 5-dimethoxybenzoic acid As the reaction raw material, it is prepared by reacting with sulfoxide chloride to prepare acyl chloride, and then reacting with ammonia. (1) 3, 5-dimethoxybenzoic acid (10.0g),55mmol (mmol)) was added to a 500mL (ml) round bottom flask, then 50mL sulfoxide chloride was added to dissolve it, and heated at 90 ℃ (℃) and refluxed for 2 hours (TLC (TLC) tracking). After the reaction, the sulfoxide chloride was evaporated under reduced pressure at 60 ℃ to obtain 1211g of brown-yellow oily substance, which was directly put into the next step without purification. (2) add 50mL ammonia water into a 500mL round bottom flask, take an ice bath for 20 minutes, dissolve the product (11.0g,55mmol) of step 1) in a 50mL acetonitrile and slowly drop it into a three-mouth flask, during which a large amount of white solid is generated, and react at room temperature for 1.5h(TLC tracking). After the reaction is over, transfer it to a round bottom flask, evaporate acetonitrile under reduced pressure at 50 ℃, wash white solid with 200ml of water, filter by suction, and dry in vacuum to obtain 137.8g of white powdered solid 3,5-dimethoxybenzamide with a yield of 78.4%;1HNMR(400MHz,CDCl3)δ:7.03(d,2H),6.63(t,1H),3.80(s,6H). |
Last Update：2024-04-09 01:59:59
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