|
|
| | 3-(3,5-Dimethylphenoxy)propane-1,2-diol Basic information |
| Product Name: | 3-(3,5-Dimethylphenoxy)propane-1,2-diol | | Synonyms: | 3-(3,5-dimethylphenoxy)propane-1,2-diol;3-(3,5-Dimethylphenoxy)-1,2-propanediol;Nsc25239;Metaxalone IMpurity A (3-(3, 5-DiMethylphenoxyl)-Propane-1, 2-Diol);Metaxalone Impurity A;Metaxalone Impurity A (3-(3,5-Dimethylphenoxy)propane-1,2-diol);1,2-Propanediol, 3-(3,5-dimethylphenoxy)-;Metaxalone Impurity 3 | | CAS: | 59365-66-1 | | MF: | C11H16O3 | | MW: | 196.24 | | EINECS: | | | Product Categories: | | | Mol File: | 59365-66-1.mol |  |
| | 3-(3,5-Dimethylphenoxy)propane-1,2-diol Chemical Properties |
| Melting point | 66-67 °C | | Boiling point | 165-170 °C(Press: 2 Torr) | | density | 1.125±0.06 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | solubility | DMSO, Methanol | | form | Solid | | pka | 13.56±0.20(Predicted) | | color | White to Off-White Waxy |
| | 3-(3,5-Dimethylphenoxy)propane-1,2-diol Usage And Synthesis |
| Uses | 3-(3,5-Dimethylphenoxy)propane-1,2-diol is an impurity in the synthesis of Metaxalone (M225850), a muscle relaxant used to relax muscles and relieve pain. | | Synthesis | A mixture of 3,5-dimethylphenol (5.00 g, 40.93 mmol), (±)-glycidol (2.72 mL, 41.01 mmol), triethylamine (0.29 mL, 2.08 mmol), and ethanol (25 mL) was heated and refluxed for about 7 hours. Upon completion of the reaction, ethanol was removed by distillation under reduced pressure. The residue was purified by silica gel column chromatography (eluent: petroleum ether solution of 25% ethyl acetate) to afford the target product 3-(3,5-dimethylphenoxy)-1,2-propanediol as a white solid (6.00 g, 75% yield). The melting point of the product was 47-49°C. 1H NMR (400 MHz, CDCl3) δ 2.28 (s, 6H), 3.68-3.87 (m, 2H), 3.94-4.04 (m, 2H), 4.04-4.12 (m, 1H), 6.55 (s, 2H), 6.62 (s, 1H); IR (film) υ3383,2923,. 2875,1600,1462,1324 cm-1; MS 197 (M + 1). | | References | [1] Patent: US2009/270469, 2009, A1. Location in patent: Page/Page column 27-28 |
| | 3-(3,5-Dimethylphenoxy)propane-1,2-diol Preparation Products And Raw materials |
|