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1335210-23-5

1335210-23-5 Structure

1335210-23-5 Structure
IdentificationBack Directory
[Name]

1-(2,2-diMethoxyethyl)-5-Methoxy-6-(Methoxycarbonyl)-4-oxo-1,4-dihydropyridine-3-carboxylic acid
[CAS]

1335210-23-5
[Synonyms]

BNKY001-DL01
Dulotegravir Me-N-4
Dolutegravir Impurity 58
Bictegravir Intermediate
Dolutegravir Intermediates3
Bictegravir Related Compound 1
1-(2,2-dimethoxyethyl)-5-methoxy-6-(methoxy
1-(2,2-Dimethoxyethyl)-1,4-dihydro-3-methoxy-4-oxo-2,5-pyrid...
1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid
Methyl 5-acetyl-1-(2,2-dimethoxyethyl)-3-methoxy-4-oxo-1,4-dihydropyridine-2-carboxylate
(E) -2-(((2,2-dimethoxyethyl) amino) Methylene) -4-methoxy-3-oxobutanoic acid methyl ester
1-(2,2-Dimethoxyethyl)-1,4-dihydro-3-methoxy-4-oxo-2,5-pyridinedicarboxylic acid 2-methyl este
1-(2,2-dimethoxyethyl)-5-methoxy-4-oxo-1,4-dihydropyridine-3,6-dicarboxylic acid-6-methyl ester
1-(2,2-Dimethoxyethyl)-1,4-dihydro-3-methoxy-4-oxo-2,5-pyridinedicarboxylic acid 2-methyl ester
1-(2,2-diMethoxyethyl)-5-Methoxy-6-(Methoxycarbonyl)-4-oxo-1,4-dihydropyridine-3-carboxylic acid
1-(2,2-Dimethoxyethyl)-5-methoxy-6-(methoxycarbonyl)-4-oxo-1,4-dihydro-3-pyridinecarboxylic acid
1-(2,2-diMethoxyethy1)-5-Methoxy-6-(Methoxycarbony1)-4-oxo-1,4-dihydropyridine-3-carboxylic acid
2,5-Pyridinedicarboxylic acid, 1-(2,2-dimethoxyethyl)-1,4-dihydro-3-methoxy-4-oxo-, 2-methyl ester
(6-(methoxycarbonyl)-1,4-dihydro-5-methoxy-1-(2,2- dimethoxy ethyl)-4-oxopyridine-3-carboxylic acid)
1-[2,2-bis(methyloxy)ethyl]-5-(methyloxy)-6-[(methyloxy)carbonyl]-4-oxo-1,4-dihydro-3-pyridinecarboxylic acid
( methoxycarbonyl ) -4 - oxo - 1,4 - dihydropyridine - 3 carboxylic Acid 1- ( 2,2 - Dimethoxyethyl ) -5 - methoxy - 6
1-(2,2-dimethoxyethyl)-5-methoxy-6-(methoxycarbonyl)-4-oxo-1,4-dihydropyridine-3-carbonyl)-4-oxo-1,4-dihydropyridine-3-carboxylic acid
1-(2,2-Dimethoxyethyl)-5-Methoxy-6-(Methoxycarbonyl)-4-oxo-1,4-Dihydropyridine-3-(Methoxycarbonyl)-4-oxo-1,4-Dihydropyridine-3-Carboxylic acid
[Molecular Formula]

C13H17NO8
[MDL Number]

MFCD28978322
[MOL File]

1335210-23-5.mol
[Molecular Weight]

315.276
Chemical PropertiesBack Directory
[Boiling point ]

474.1±45.0 °C(Predicted)
[density ]

1.36±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Chloroform, DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

5.56±0.40(Predicted)
[color ]

White to Light Yellow
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

Dolutegravir intermediate-1 is used as an intermediate in the synthesis of GSK1265744 (I), a potent HIV integrase inhibitor.
[Synthesis]

N, N-Dimethylformamide dimethyl acetal was added to methyl 4-methoxy-3-oxobutanoate, and the mixture was kept for 2 h at 25-30°C. The resulting methyl2-(dimethylaminomethylidene)-4-methoxy-3-oxobutanoate was dissolved in methanol, 2-amino acetaldehyde dimethyl acetal was added, and the mixture was stirred at20-30°C for 2 h. The solvent was removed under reduced pressure, the residue was diluted with methanol, and dimethyl oxalate was added at 25-30°C. The mixture was cooled to 0-5°C, 30 wt % sodium methoxide in methanol was slowly added, and the mixture was slowly heated to 40°C, stirred for 14 h at that temperature, and concentrated under reduced pressure. The residue was diluted with dichloromethane and poured into cold (0-5°C)2 N aqueous HCl. The organic phase was separated, the aqueous layer was extracted with dichloromethane (2× ), and the combined organic layers were washed with demineralized water and concentrated under reduced pressure at 40-45 °C to obtain intermediate. The product was dissolved in methanol, the solution was cooled to 0-5°C, and lithium hydroxide monohydrate was added. The mixture was stirred at 0-5°C for 3 h, quenched with 2 N aqueous HCl, and extracted with ethyl acetate (3×). Finally, the product 1-(2,2-diMethoxyethyl)-5-Methoxy-6-(Methoxycarbonyl)-4-oxo-1,4-dihydropyridine-3-carboxylic acid can be obtained through further purification.
1-(2,2-diMethoxyethyl)-5-Methoxy-6-(Methoxycarbonyl)-4-oxo-1,4-dihydropyridine-3-carboxylic acid
Spectrum DetailBack Directory
[Spectrum Detail]

1-(2,2-diMethoxyethyl)-5-Methoxy-6-(Methoxycarbonyl)-4-oxo-1,4-dihydropyridine-3-carboxylic acid(1335210-23-5)1HNMR
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