(5R)-5-(2,2-Dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one
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(5R)-5-(2,2-Dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one
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CAS No:
452339-73-0
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Formula:
C13H15NO4
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Chemical Name:
(5R)-5-(2,2-Dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one
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Synonyms:
2-Oxazolidinone,5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-,(5R)-;(5R)-5-(2,2-Dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxazolidinone;(5R)-5-(2,2-Dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one;(5R)-5-(2,2-Dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one;(R)-5-(2,2-Dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one;(R)-5-(2,2-Dimethyl-4H-benzo[d][1,3]dioxin-6-yl)oxazolidin-2-one
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Safety Information
|Danger|H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P280, P305+P351+P338, and P310|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory.
(5R)-5-(2,2-Dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one Use and Manufacturing
Take (1) 5g of raw materials was added to 40ml of ethyl acetate was stirred, then add 0.05 heteropoly acid crystals 10-15 ° C reaction3-5h, HPLC detection of the reaction solution, when (1) the type of raw material no longer down to stop the reaction, cooled to room temperature; using a pore size of 0.2 micronsMicroporous membrane filter to remove heteropoly acid crystals, washed, concentrated to give the product.Example 7 100mL three bottles, Nitrogen protection, 0 ° C, Compound 1 _15 (1 g, 3. Lmmo 1) was dissolved in N, N-dimethylformamide (10 mL) Potassium tert-butoxide (38111 ^, 3.41) 11] 101) was added. The reaction was carried out at room temperature for 3 hours. Ethyl acetate (50 mL) Washed sequentially with water (50 mL) and saturated brine (50 mL) Organic phase dry, filter, concentrate, Recrystallization from a mixed solution (20 mL) of ethyl acetate and petroleum ether (1/20 of the ratio) gave 700 mg of a white solid.Intermediate 34. (/?)-5-(2, 2-Dimethyl-4H-1 , 3-benzodioxin-6-yl)-1 , 3-oxazolidin-2-one; To a solution of (f?)-2-amino-1-(2, 2-dimethyl-4H-1 , 3-benzodioxin-6-yl)ethanol (2.53 g, 11.3 mmol) in chloroform (12 ml.) was added carbonyldiimidazol (2.75 g, 17 mmol) and triethylamine (2.37 ml_, 17 mmol). The mixture was stirred at room temperature overnight. The solvent was removed under reduced pressure and the residue diluted with ethyl acetate (25 ml_). The organic layer was washed with water (2 x 10 ml_), brine (10 ml_), dried (Na
Computed Properties
Molecular Weight:249.26
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:249.10010796
Monoisotopic Mass:249.10010796
Topological Polar Surface Area:56.8
Heavy Atom Count:18
Complexity:344
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(5R)-5-(2,2-Dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one
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