| Identification | Back Directory | [Name]
3-(3,5-Dimethylphenoxy)propane-1,2-diol | [CAS]
59365-66-1 | [Synonyms]
Nsc25239
Metaxalone Impurity A
Metaxalone Impurity 3
3-(3,5-dimethylphenoxy)propane-1,2-diol
3-(3,5-Dimethylphenoxy)-1,2-propanediol
1,2-Propanediol, 3-(3,5-dimethylphenoxy)-
Metaxalone Impurity A (3-(3,5-Dimethylphenoxy)propane-1,2-diol)
Metaxalone IMpurity A (3-(3, 5-DiMethylphenoxyl)-Propane-1, 2-Diol)
Metaxalone Impurity AQ: What is
Metaxalone Impurity A Q: What is the CAS Number of
Metaxalone Impurity A Q: What is the storage condition of
Metaxalone Impurity A Q: What are the applications of
Metaxalone Impurity A | [Molecular Formula]
C11H16O3 | [MDL Number]
MFCD09743813 | [MOL File]
59365-66-1.mol | [Molecular Weight]
196.24 |
| Chemical Properties | Back Directory | [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 |
| Hazard Information | Back Directory | [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 |
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