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ChemicalBook--->CAS DataBase List--->1335210-34-8

1335210-34-8

1335210-34-8 Structure

1335210-34-8 Structure
IdentificationBack Directory
[Name]

(4R,12aS)-7-Methoxy-4-Methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-[1,3]oxazino[3,2-d]pyrido[1,2-a]pyrazine-9-carboxylic acid
[CAS]

1335210-34-8
[Synonyms]

BNKY001-DL02
(3S,7R)-11-Methoxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid
(4R,12aS)-7-Methoxy-4-Methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-[1,3]oxazino[3,2-d]pyrido[1,2-a]pyrazine-9-carboxylic acid
(4R,12aS)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2Hpyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid
(4R,12aS)-3,4,6,8,12,12a-Hexahydro-7-methoxy-4-methyl-6,8-dioxo-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid
2H-Pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid, 3,4,6,8,12,12a-hexahydro-7-methoxy-4-methyl-6,8-dioxo-, (4R,12aS)-
Dolutegravir impurity 3/(4R,12aS)-7-Methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-[1,3]oxazino[3,2-d]pyrido[1,2-a]pyrazine-9-carboxylic acid
2H-Pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid, 3,4,6,8,12,12a-hexahydro-7-methoxy-4-methyl-6,8-dioxo-, (4R,12aS)-/Dolutegravir impurity
[Molecular Formula]

C14H16N2O6
[MDL Number]

MFCD28978321
[MOL File]

1335210-34-8.mol
[Molecular Weight]

308.29
Chemical PropertiesBack Directory
[Boiling point ]

560.8±50.0 °C(Predicted)
[density ]

1.50±0.1 g/cm3(Predicted)
[pka]

5.52±0.40(Predicted)
Hazard InformationBack Directory
[Synthesis]

5-methoxy-6-(methoxycarbonyl)-4-oxo-1-(2-oxoethyl)-1,4-dihydropyridine-3-carboxylic acid (3.38 g, 107.24 mmol) was dissolved in 33 ml of acetonitrile. Add glacial acetic acid (3 ml) and methanesulfonic acid (0.21 ml, 3.24 mmol) in a 150 ml round bottom flask at room temperature. The reaction was heated to 60 ° C for 19 h. (R)-3-Amino-1-butanol (1.44 ml, 1.34 g, dissolved in 2.25 ml of CH3CN) was slowly added dropwise to the above reaction solution. The reaction was continued to stir at 60 ° C for 18 h to give a white suspension. The reaction solution was concentrated to dryness under reduced pressure to give a concentrate. Add 25 ml of CH2Cl2 and 1N HCl (25 ml). The organic layer was separated, and the aqueous layer was extracted with CH 2 Cl 2 (25 ml x 2). The organic layers were combined and concentrated to dryness under reduced pressure to give crude 6 2.2g. The crude product was recrystallized from 15 ml of MeOH/petroleum ether = 6/1 solvent. After filtration and drying, a pale yellow solid product of (4R,12aS)-7-Methoxy-4-Methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-[1,3]oxazino[3,2-d]pyrido[1,2-a]pyrazine-9-carboxylic acid was obtained, 1.72 g.
(4R,12aS)-7-Methoxy-4-Methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-[1,3]oxazino[3,2-d]pyrido[1,2-a]pyrazine-9-carboxylic acid
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