1333140-90-1

Basic information

• Product Name: methyl 2-(3-(3-chloro-2-fluorobenzyl)-2,6-difluorobenzoyl)-3-(dimethylamino)acrylate
• Synonyms: methyl 2-(3-(3-chloro-2-fluorobenzyl)-2,6-difluorobenzoyl)-3-(dimethylamino)acrylate
• CAS NO: 1333140-90-1
• Molecular Weight: 411.808
• Mol File: 1333140-90-1.mol

Chemical Properties

• CAS DataBase Reference: methyl 2-(3-(3-chloro-2-fluorobenzyl)-2,6-difluorobenzoyl)-3-(dimethylamino)acrylate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 2-(3-(3-chloro-2-fluorobenzyl)-2,6-difluorobenzoyl)-3-(dimethylamino)acrylate(1333140-90-1)
• EPA Substance Registry System: methyl 2-(3-(3-chloro-2-fluorobenzyl)-2,6-difluorobenzoyl)-3-(dimethylamino)acrylate(1333140-90-1)

Safety Data

• Hazardous Substances Data: 1333140-90-1(Hazardous Substances Data)

Upstream product

• 85070-47-9 1-(bromomethyl)-3-chloro-2-fluorobenzene 
• 385-00-2 2,6-difluorobenzoic acid 
• 501433-14-3 methyl 2,6-difluoro-3-iodobenzoate 
• 229178-74-9 2,6-difluoro-3-iodobenzoic acid 
• 1333140-89-8 methyl 3-(3-(3-chloro-2-fluorobenzyl)-2,6-difluorophenyl)-3-oxopropanoate 
• 4637-24-5 N,N-dimethyl-formamide dimethyl acetal 
• 1333140-88-7 3-(3-chloro-2-fluorobenzyl)-2,6-difluorobenzoic acid 
• 1333140-87-6 methyl 3-(3-chloro-2-fluorobenzyl)-2,6-difluorobenzoate 

Downstream Products

• 1333141-21-1 C₂₁H₁₉ClF₃NO₃ 
• 1333141-11-9 methyl 6-(3-chloro-2-fluorobenzyl)-5-fluoro-4-oxo-1-propyl-1,4-dihydroquinoline-3-carboxylate 
• 1333141-12-0 methyl 6-(3-chloro-2-fluorobenzyl)-1-butyl-5-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate 
• 1333141-13-1 C₂₃H₂₂ClF₂NO₃ 
• 1333141-14-2 methyl 6-(3-chloro-2-fluorobenzyl)-5-fluoro-1-isopropyl-4-oxo-1,4-dihydroquinoline-3-carboxylate 
• 1333141-15-3 methyl 6-(3-chloro-2-fluorobenzyl)-5-fluoro-1-isobutyl-4-oxo-1,4-dihydroquinoline-3-carboxylate 
• 1333141-16-4 methyl 6-(3-chloro-2-fluorobenzyl)-5-fluoro-1-sec-butyl-4-oxo-1,4-dihydroquinoline-3-carboxylate 
• 1333141-17-5 methyl 6-(3-chloro-2-fluorobenzyl)-5-fluoro-1-tert-butyl-4-oxo-1,4-dihydroquinoline-3-carboxylate 
• 1333141-18-6 methyl 6-(3-chloro-2-fluorobenzyl)-5-fluoro-1-cyclopropyl-4-oxo-1,4-dihydroquinoline-3-carboxylate 
• 1333141-19-7 methyl 6-(3-chloro-2-fluorobenzyl)-5-fluoro-1-cyclopentyl-4-oxo-1,4-dihydroquinoline-3-carboxylate 
• 1333141-20-0 methyl 6-(3-chloro-2-fluorobenzyl)-5-fluoro-1-cyclohexyl-4-oxo-1,4-dihydroquinoline-3-carboxylate 
• 1333141-33-5 methyl (S)-6-(3-chloro-2-fluorobenzyl)-5-fluoro-1-(1-hydroxy-3-methylbutan-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate 
• 1333141-01-7 6-(3-chloro-2-fluorobenzyl)-5-fluoro-4-oxo-1-propyl-1,4-dihydroquinoline-3-carboxylic acid 
• 1333141-02-8 C₂₁H₁₈ClF₂NO₃ 

Relevant articles and documents

Synthesis and biological evaluation of HQCAs with aryl or benzyl substituents on N-1 position as potential HIV-1 integrase inhibitors

A series of new 5-hydroxylquinolone-3-carboxylic acids (HQCAs) with various aryl or benzyl substituents on N-1 position were synthesized and evaluated for their anti-HIV activity in C8166 cell culture. Most of the target compounds displayed activity against wide-type HIV-1 in the low micromolar range in infected C8166 cells. The most active compound 5g exhibited activity against wild-type HIV-1 and HIV-1 mutant virus A17 with an EC50 value of 3.17 and 17.88 μM, respectively. The biological results and the docking study revealed that the substitution pattern on N-1 position of the quinolone core might contribute to physicochemical properties of HQCAs and resulted in great influence on their antiviral potency.

Structural modifications of quinolone-3-carboxylic acids with anti-HIV activity

A series of new quinolone-3-carboxylic acids featuring a hydroxyl group at C-5 position were synthesized and evaluated for their in vitro activity against HIV in C8166 cell culture. All the compounds showed anti-HIV-1 activity with low micromolar to submi