1229006-21-6

Basic information

• Product Name: 5-[[[(2,4-Difluorophenyl)methyl]amino]carbonyl]-1-(2,2-dimethoxyethyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylic acid methyl ester
• Synonyms: 5-[[[(2,4-Difluorophenyl)methyl]amino]carbonyl]-1-(2,2-dimethoxyethyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylic acid methyl ester;dimethoxyethyl)-4-oxo-1,4-dihydropyridine-2,5-dicarboxylate;1-[2,2-bis(methyloxy)ethyl]-5-({[(2,4-difluorophenyl)methyl]amino}carbonyl)-4-oxo-3-[(phenylmethyl)oxy]-1,4-dihydro-2-pyridinecarboxylic acid methyl ester
• CAS NO: 1229006-21-6
• Molecular Formula: C₂₆H₂₆F₂N₂O₇
• Molecular Weight: 516.4906464
• EINECS: 1592732-453-0
• Product Categories: Dolutegravir INTERMEDIATES
• Mol File: 1229006-21-6.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 696.2±55.0 °C(Predicted)
• Appearance: /
• Density: 1.34±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 10.97±0.40(Predicted)
• CAS DataBase Reference: 5-[[[(2,4-Difluorophenyl)methyl]amino]carbonyl]-1-(2,2-dimethoxyethyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 5-[[[(2,4-Difluorophenyl)methyl]amino]carbonyl]-1-(2,2-dimethoxyethyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylic acid methyl ester(1229006-21-6)
• EPA Substance Registry System: 5-[[[(2,4-Difluorophenyl)methyl]amino]carbonyl]-1-(2,2-dimethoxyethyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylic acid methyl ester(1229006-21-6)

Safety Data

• Hazardous Substances Data: 1229006-21-6(Hazardous Substances Data)

Usage

General Description

The chemical "5-[[[(2,4-Difluorophenyl)methyl]amino]carbonyl]-1-(2,2-dimethoxyethyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylic acid methyl ester" is a complex compound with a long and detailed chemical structure. It contains a pyridine ring, a phenyl group, and several other functional groups, including ester, carbonyl, and amino groups. This chemical is likely a synthetic organic compound with potential applications in pharmaceuticals or other industries. The compound's precise properties, uses, and potential hazards would need to be determined through further study and investigation.

Upstream product

• 201230-82-2 carbon monoxide 
• 1229006-20-5 1-[2,2-bis(methyloxy)ethyl]-5-bromo-4-oxo-3-[(phenylmethyl)oxy]-1,4-dihydro-2-pyridinecarboxylic acid methyl ester 
• 72235-52-0 2,4-Difluoro-benzylamine 
• 1357289-08-7 2,5-dimethyl 3-(benzyloxy)-1-(2,2-dimethoxyethyl)-4-oxo-1,4-dihydropyridine-2,5-dicarboxylate 
• 82961-76-0 4-benzyloxy-3-oxobutyric acid methyl ester 
• 100-51-6 benzyl alcohol 
• 1246616-65-8 methyl 4-benzyloxy-2-((dimethylamino)methylene)acetoacetate 
• 1246616-66-9 dimethyl 3-(benzyloxy)-4-oxo-4H-pyran-2,5-dicarboxylate 
• 1229006-19-2 1-[2,2-bis(methyloxy)ethyl]-4-oxo-3-[(phenylmethyl)oxy]-1,4-dihydro-2-pyridinecarboxylic acid methyl ester 
• 1206102-04-6 2-(2-hydroxy-2-phenylethyl)-3-[(phenylmethyl)oxy]-4H-pyran-4-one 
• 1229006-11-4 C₂₀H₁₆O₃ 
• 119736-16-2 3-(benzyloxy)-1-((tert-butoxycarbonyl)amino)-4-oxo-1,4-dihydropyridine-2-carboxylic acid ethyl ester 
• 118-71-8 Maltol 
• 500371-01-7 3-(benzyloxy)-4-oxo-4H-pyran-2-carbaldehyde 

Downstream Products

• 1229006-25-0 methyl 3-(benzyloxy)-5-(2,4-difluorobenzylcarbamoyl)-4-oxo-1-(2-oxoethyl)-1,4-dihydropyridine-2-carboxylate 
• 1229006-23-8 5-({[(2,4-difluorophenyl)methyl]amino}carbonyl)-1-[2-hydroxy-2-(methyloxy)ethyl]-4-oxo-3-[(phenylmethyl)oxy]-1,4-dihydro-2-pyridinecarboxylic acid methyl ester 
• 1206102-11-5 (4R,12aS)-7-(benzyloxy)-N-(2,4-difluorobenzyl)-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1′,2’:4,5]-pyrazino[2,1-b][1,3]oxazine-9-carboxamide 
• 1357289-24-7 C₂₈H₂₉F₂N₃O₆ 
• 1357289-26-9 C₂₇H₂₇F₂N₃O₆ 
• 1357289-27-0 C₂₇H₂₅F₂N₃O₅ 
• 1051375-16-6 dolutegravir 
• 1051375-19-9 (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino-[2,1-b][1,3]oxazine-9-carboxamide sodium salt 

Relevant articles and documents

Intermediate of these pyridonecarboxylic carbamoylalkanoic and HIV integrase inhibitor

A synthesis approach providing an early ring attachment via a bromination to compound I-I yielding compound II-II: whereby a final product such as AA: can be synthesized. In particular, the 2,4-difluorophenyl-containing sidechain is attached before creation of the additional ring Q.

Identification and Control of Critical Process Impurities: An Improved Process for the Preparation of Dolutegravir Sodium

A four-stage manufacturing route for the preparation of dolutegravir sodium (1) was assessed and optimized leading to a higher yielding, simpler and scalable process. Key improvements in the process include the development of mild workup procedure by selective derivatization of a difficult to remove a process impurity using tert-butyldimethylsilyl chloride. Metal-based hydrogenation-free O-debenzylation is optimized, and the critical isomeric impurity formed was identified and eliminated from the process by the establishment of a proper control strategy.

PROCESSES AND INTERMEDIATES FOR CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS

Processes are provided which create an aldehyde methylene, or hydrated or hemiacetal methylene attached to a heteroatom of a 6 membered ring without going through an olefinic group and without the necessity of using an osmium reagent. In particular, a comopound of formula (I) can be produced from (II) and avoid the use of an allyl amine: (formulae I and II) where R, P 1 P3, R3 and Rx are as described herein.