1,3-Propanediol, 2-[(acetyloxy)methoxy]-, 1,3-diacetate
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![1,3-Propanediol, 2-[(acetyloxy)methoxy]-, 1,3-diacetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/655952d90b704da385536888ce1654c3.png "1,3-Propanediol, 2-[(acetyloxy)methoxy]-, 1,3-diacetate")
1,3-Propanediol, 2-[(acetyloxy)methoxy]-, 1,3-diacetate
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CAS No:
86357-13-3
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Formula:
C10H16O7
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Chemical Name:
1,3-Propanediol, 2-[(acetyloxy)methoxy]-, 1,3-diacetate
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Synonyms:
1,3-Propanediol,2-[(acetyloxy)methoxy]-,1,3-diacetate;1,3-Propanediol,2-[(acetyloxy)methoxy]-,diacetate;1,3-Diacetoxy-2-(acetoxymethoxy)propane;2-(Acetoxymethoxy)propane-1,3-diyl diacetate
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Categories:
Active Pharmaceutical Ingredients > Synthetic Anti-infective Drugs
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CAS No:
1,3-Propanediol, 2-[(acetyloxy)methoxy]-, 1,3-diacetate Basic Attributes
248.23
248.23
1592732-453-0
DTXSID50430813
2915390090
1,3-Propanediol, 2-[(acetyloxy)methoxy]-, 1,3-diacetate Use and Manufacturing
0.5 g (2.10 mmol) of compound F was added to compound E (5.6 mmol) in anhydrous acetonitrileIn a mixed solution of (60 ml) and anhydrous 1, 2-dichloroethane (60 ml), Add 0.5 ml (2.9 mmol) of catalyst TMSOTf at 0 C.Reacted at room temperature for 6 h, The progress of the reaction was monitored using thin layer chromatography, after the reaction was completed, The reaction was stopped by adding 150 ml of a saturated aqueous solution of NaHCO3;The organic phase (120 ml × 3) was extracted by adding dichloromethane, and the organic phases were combined.It was dried over anhydrous magnesium sulfate and finally steamed under reduced pressure.The product after rotary evaporation is separated by column chromatography(silica gel column 4×8 cm, eluent is DCM: CH3OH=100:4);After vacuum drying470mg white powder compound 3, The yield was 71%.0.5 g (2.10 mmol) of compound F was added to compound E (5.6 mmol)a mixed solution of anhydrous acetonitrile (60 ml) and anhydrous 1, 2-dichloroethane (60 ml), Add 0.5 ml (2.9 mmol) of catalyst TMSOTf at 0 C.After reacting at 75 C for 4 h, the progress of the reaction was monitored by thin layer chromatography.The reaction was stopped by adding 150 ml of a saturated aqueous solution of NaHCO3;The organic phase (120 ml × 3) was extracted by adding dichloromethane, and the organic phases were combined.It was dried over anhydrous magnesium sulfate and finally steamed under reduced pressure.The product after rotary evaporation is separated by column chromatography(silica gel column 4×8 cm, eluent is DCM: CH3OH=100:2);After vacuum drying, 460 mg of white powder compound 1 was obtained in a yield of 70%.In the first step, 20.0-diacetylguanine 50.0 g (0.21 mol, 1.0 eq),
Computed Properties
Molecular Weight:248.23
XLogP3:-0.1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:248.08960285
Monoisotopic Mass:248.08960285
Topological Polar Surface Area:88.1
Heavy Atom Count:17
Complexity:256
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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