1,3-Dimethoxy-2-propanol

1, 3-Dimethoxypropan-2-ol 1 was synthesized by treating epichlorohydrin with methanol and sodium hydroxide according to a modified procedure described in literature [15]. To a 250mL three-neck flask was added 165mL of absolute methanol, 11.4g of sodium hydroxide. The mixture was stirred and heated to reflux to form a solution. Epichlorohydrin (25.0g) was added dropwised within 1h. Refluxing of the reaction solution continued for another 6h. The mixture was then cooled to room temperature and its pH value was adjusted to 7 by the addition of concentrated hydrochloric acid. Sodium chloride, which has precipitated out, was filtered off and the filtrate was subjected to a fractional distillation under vacuum to obtain 1 (29.8g, yield 91.9percent). a) 1, 3-dimethoxyglycerol, compound 12a [0285] Anhydrous methanol (100 mL) was treated with potassium hydroxide pellets(25 g, 0.446 mol) and the suspension was stirred at room temperature until all the base had dissolved. This solution was then cooled in an ice-bath and epichlorohydrin (0.223 mol, 20.6 g) was added drop wise. After completion of the addition, the reaction was warmed to room temperature and heated in an oil bath at 75-80°C under nitrogen for 16 hours. The reaction was then cooled to room temperature and filtered. The filtrate was concentrated under reduced pressure. The recovered oil was dissolved in ethyl acetate (150 mL) and filtered again and then concentrated under reduced pressure. A colorless oil (21.5 g) was recovered that was purified by vacuum distillation to afford 12.9 g (50percent) of 1, 3-dimethoxyglycerol, compound 12a.1, 3-Dimethoxypropan-2-ol 1 was synthesized by treating epichlorohydrin with methanol and sodium hydroxide according to a modified procedure described in literature [15]. To a 250mL three-neck flask was added 165mL of absolute methanol, 11.4g of sodium hydroxide. The mixture was stirred and heated to reflux to form a solution. Epichlorohydrin (25.0g) was added dropwised within 1h. Refluxing of the reaction solution continued for another 6h. The mixture was then cooled to room temperature and its pH value was adjusted to 7 by the addition of concentrated hydrochloric acid. Sodium chloride, which has precipitated out, was filtered off and the filtrate was subjected to a fractional distillation under vacuum to obtain 1 (29.8g, yield 91.9percent). 1H NMR (300MHz, CDCl3): delta 3.92'3.99 (m, 1H, CH), 3.40'3.49 (m, 4H, CH2), 3.39 (s, 6H, CH3), 2.59 (s, 1H, OH, the shape, position and intensity of this peak vary with different sample concentration). 13C NMR (75MHz, CDCl3): delta 73.9 (CH2), 69.1 (CH), 59.0 (CH3). ESI-HRMS: m/z [M+Na]+ calcd. for [C5H12O3+Na]+: 143.0684; found: 143.0684. Elemental analysis: Calcd. for C5H12O3: C 49.98, H 10.07; Found: C 49.97, H 9.84.a) 1, 3-dimethoxyglycerol, compound 12a [0285] Anhydrous methanol (100 mL) was treated with potassium hydroxide pellets(25 g, 0.446 mol) and the suspension was stirred at room temperature until all the base had dissolved. This solution was then cooled in an ice-bath and epichlorohydrin (0.223 mol, 20.6 g) was added drop wise. After completion of the addition, the reaction was warmed to room temperature and heated in an oil bath at 75-80°C under nitrogen for 16 hours. The reaction was then cooled to room temperature and filtered. The filtrate was concentrated under reduced pressure. The recovered oil was dissolved in ethyl acetate (150 mL) and filtered again and then concentrated under reduced pressure. A colorless oil (21.5 g) was recovered that was purified by vacuum distillation to afford 12.9 g (50percent) of 1, 3-dimethoxyglycerol, compound 12a.with the epichlorohydrin the action of NaOH in methanol, an excess of methanol as solvent at reflux for 6 hours to give Section 1 step: the epoxychloropropane and methanol under the action of the NaOH, in order to an excess of methanol as a solvent reflux reaction 6 hours, to obtain

Molecular Weight:120.15
XLogP3:-0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:120.078644241
Monoisotopic Mass:120.078644241
Topological Polar Surface Area:38.7
Heavy Atom Count:8
Complexity:40.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes