869893-92-5

Basic information

• Product Name: 6-[(3-Chloro-2-fluorophenyl)Methyl]-7-fluoro-1,4-dihydro-1-[(1S)-1-(hydroxyMethyl)-2-Methylpropyl]
• Synonyms: 6-(3-Chloro-2-fluorobenzyl)-7-fluoro-1-[(S)-1-hydroxyMethyl-2-Methylpropyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid;6-[(3-Chloro-2-fluorophenyl)Methyl]-7-fluoro-1,4-dihydro-1-[(1S)-1-(hydroxyMethyl)-2-Methylpropyl];7-DesMethoxy-7-fluoro Elvitegravir;3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)Methyl]-7-fluoro-1,4-dihydro-1-[(1S)-1-(hydro xyMethyl)-2-Methylpropyl]-4-oxo-;(S)-6-(3-chloro-2-fluorobenzyl)-7-fluoro-1-(1-hydroxy-3-methylbutan-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
• CAS NO: 869893-92-5
• Molecular Formula: C₂₂H₂₀ClF₂NO₄
• Molecular Weight: 435.8483064
• Product Categories: Aromatics;Heterocycles;Inhibitors;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 869893-92-5.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 595.0±50.0 °C(Predicted)
• Appearance: /
• Density: 1.405±0.06 g/cm3(Predicted)
• Storage Temp.: Refrigerator
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 6.32±0.41(Predicted)
• CAS DataBase Reference: 6-[(3-Chloro-2-fluorophenyl)Methyl]-7-fluoro-1,4-dihydro-1-[(1S)-1-(hydroxyMethyl)-2-Methylpropyl](CAS DataBase Reference)
• NIST Chemistry Reference: 6-[(3-Chloro-2-fluorophenyl)Methyl]-7-fluoro-1,4-dihydro-1-[(1S)-1-(hydroxyMethyl)-2-Methylpropyl](869893-92-5)
• EPA Substance Registry System: 6-[(3-Chloro-2-fluorophenyl)Methyl]-7-fluoro-1,4-dihydro-1-[(1S)-1-(hydroxyMethyl)-2-Methylpropyl](869893-92-5)

Safety Data

• Hazardous Substances Data: 869893-92-5(Hazardous Substances Data)

Usage

Uses

Elvitegravir (E509000) derivative.

Upstream product

• 28314-83-2 5-bromo-2,4-difluoro-benzoic acid 
• 934161-50-9 6-bromo-7-fluoro-1-((S)-1-hydroxymethyl-2-methylpropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester 
• 85070-47-9 1-(bromomethyl)-3-chloro-2-fluorobenzene 
• 1261283-91-3 6-(3-chloro-2-fluorobenzyl)-7-fluoro-1-[2-methyl-1-(tetrahydropyran-2-yloxymethyl)prop-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester 
• 1261283-89-9 7-fluoro-6-iodo-1-[1-(S)-2-methyl-1-(tetrahydropyran-2-yloxymethyl)prop-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester 
• 697762-59-7 C₁₇H₂₀F₂INO₄ 
• 72-18-4 L-valine 
• 161531-51-7 2,4-difluoro-5-iodobenzoic acid 
• 1583-58-0 2,4-difluoro-benzoic acid 
• 697762-62-2 (S)-ethyl 6-(3-chloro-2-fluorobenzyl)-7-fluoro-1-(1-(methoxycarbonyloxy)-3-methylbutan-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate 
• 869893-91-4 3-chloro-2-fluorobenzyl zinc bromide 
• 934161-52-1 6-bromo-1-((S)-1-tert-butyldimethylsilyloxymethyl-2-methylpropyl)-7-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester 
• 2026-48-4 (S)-valinol 
• 697762-60-0 7-fluoro-1-(1(S)-hydroxymethyl-2-methylprop-1-yl)-6-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester 

Downstream Products

• 1261283-95-7 1(S)-[1-(tert-butyldimethylsilanyloxymethyl)-2-methylprop-1-yl]-6-(3-chloro-2-fluorobenzyl)-7-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 
• 1261283-97-9 6-(3-chloro-2-fluorobenzyl)-7-fluoro-1-[2-methyl-1-(tetrahydropyran-2-yloxymethyl)prop-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 
• 697761-98-1 elvitegravir 
• 1261283-99-1 1-(S)-[1-(tert-butyldimethylsilanyloxymethyl)-2-methylprop-1-yl]-6-(3-chloro-2-fluorobenzyl)-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 
• 1261284-01-8 6-(3-chloro-2-fluorobenzyl)-7-methoxy-1-[1-(S)-2-methyl-1-(tetrahydropyran-2-yloxymethyl)prop-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 
• 1131640-46-4 (S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-methylbutan-2-yl)-7-(methoxy-d₃)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 
• 870649-31-3 C₂₃H₂₂ClF₂NO₄ 

Relevant articles and documents

AN IMPROVED PROCESS FOR THE PREPARATION OF ELVITEGRAVIR

The present invention relates to improved process for the preparation of elvitegravir (12), wherein the compound of formula (6) is protected with suitable protecting agents and further reacted with formula (9) in the presence of tetrakis(triphenylphosphin

Novel HIV-1 integrase inhibitors derived from quinolone antibiotics

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4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS

An anti-HIV agent containing, as an active ingredient, a 4-oxoquinoline compound represented by the following formula [I] wherein each symbol is as defined in the specification, or a pharmaceutically acceptable salt thereof. The compound of the present invention has HIV integrase inhibitory action and is useful as an anti-HIV agent for the prophylaxis or therapy of AIDS. Moreover, by a combined use with other anti-HIV agents such as protease inhibitors, reverse transcriptase inhibitors and the like, the compound can become a more effective anti-HIV agent. Since the compound has high inhibitory activity specific for integrases, it can provide a safe pharmaceutical agent with a fewer side effects for human.