221121-37-5

Basic information

• Product Name: 4-(4-FLUORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER
• Synonyms: 4-(4-FLUORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER;4-(4-Fluorophenyl)-3-oxobutanoic acid ethyl ester
• CAS NO: 221121-37-5
• Molecular Formula: C₁₂H₁₃FO₃
• Molecular Weight: 224.23
• Mol File: 221121-37-5.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 295.509 °C at 760 mmHg
• Flash Point: 128.353 °C
• Appearance: /
• Density: 1.161 g/cm³
• Vapor Pressure: 0.002mmHg at 25°C
• Refractive Index: 1.493
• PKA: 10.35±0.46(Predicted)
• CAS DataBase Reference: 4-(4-FLUORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-FLUORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER(221121-37-5)
• EPA Substance Registry System: 4-(4-FLUORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER(221121-37-5)

Safety Data

• Hazardous Substances Data: 221121-37-5(Hazardous Substances Data)

Usage

Uses

Ethyl 4-(4-Fluorophenyl)-3-oxobutanoate is used in the synthesis of novel pyridinone derivatives as non-nucleoside reverse transcriptase inhibitors with high potency against NNRTI-resistant HIV-1 strains. Also used in the structural evaluation of 2-substituted 5-hydroxyindole 3-carboxylates as potent inhibitors of human 5-lipoxygenase.

InChI:InChI=1/C12H13FO3/c1-2-16-12(15)8-11(14)7-9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3

Upstream product

• 6148-64-7 ethyl potassium malonate 
• 221121-30-8 2-(4-fluorophenyl)-1-(1H-imidazol-1-yl)ethan-1-one 
• 2033-24-1 cycl-isopropylidene malonate 
• 64-17-5 ethanol 
• 459-04-1 4-Fluorophenylacetyl chloride 
• 405-50-5 p-Fluorophenylacetic acid 
• 1035695-10-3 5-[2-(4-fluorophenyl)-1-hydroxyethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione 
• 623-73-4 diazoacetic acid ethyl ester 
• 18511-62-1 4-fluorostyrene oxide 
• 42201-84-3 1-ethoxy-1-(tert-butyldimethylsilyloxy)ethene 
• 587-88-2 ethyl 2-(4-fluorophenyl)acetate 

Downstream Products

• 221121-54-6 6-(4-fluoro-benzyl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one 
• 894802-96-1 7-amino-4-(4-fluoro-benzyl)-1H-quinolin-2-one 
• 1052114-80-3 ethyl 5-(4-fluorophenyl)-4-oxo-1,4-dihydropyridine-3-carboxylate 
• 603999-25-3 ethyl (2Z)-3-amino-4-(4-fluorophenyl)-2-butenoate 
• 1323111-28-9 6-(4-fluorobenzyl)-7H-benzo[f]pyrido[1,2-b][2,7]naphthyridin-7-one 
• 1345855-20-0 N-(4-(2-[bis[(1,1-dimethylethoxy)carbonyl]amino]-3-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yloxy)-2,5-difluorophenyl)-5-(4-fluorophenyl)-1-methyl-4-oxo-1,4-dihydropyridine-3-carboxamide 
• 1345855-21-1 N-(4-(2-amino-3-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yloxy)-2,5-difluorophenyl)-5-(4-fluorophenyl)-1-methyl-4-oxo-1,4-dihydropyridine-3-carboxamide 
• 1345855-04-0 ethyl 5-(4-fluorophenyl )-1-methyl-4-oxo-1,4-dihydropyridine-3-carboxylate 
• 1052114-86-9 5-(4-fluorophenyl)-1-methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid 
• 1345855-14-2 N-(2,5-difluoro-4-(3-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yloxy)phenyl)-5-(4-fluorophenyl)-1-methyl-4-oxo-1,4-dihydropyridine-3-carboxamide 
• 1282619-50-4 ethyl 6-(4-fluorobenzyl)-2-(benzyloxy)-4-hydroxynicotinate 
• 1282619-73-1 6-(4-fluorobenzyl)-2-(benzyloxy)-3-(2-hydroxypropan-2-yl)-pyridin-4-ol 
• 1282619-81-1 6-(4-fluorobenzyl)-2-(benzyloxy)-3-(prop-1-en-2-yl)pyridin-4-ol 
• 1282619-89-9 6-(4-fluorobenzyl)-2-(benzyloxy)-4-(2-methylcyclohexyloxy)-3-(prop-1-en-2-yl)pyridine 

Relevant articles and documents

Non-metal Lewis acid-catalyzed cross-Claisen condensation for β-keto esters

In this work, we disclose a new catalytic and highly chemoselective cross-Claisen condensation of esters. In the presence of TBSNTf2 as a non-metal Lewis acid, various esters can undergo cross-Claisen condensation to form β-keto esters which are important building blocks. Compared with the traditional Claisen condensation, this process, employing silyl ketene acetals (SKAs) as carbonic nucleophiles to achieve cross-Claisen condensation, requires mild conditions and has good tolerance of functional groups. This journal is

PYRIDONE COMPOUNDS AND METHODS OF USE IN THE MODULATION OF A PROTEIN KINASE

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MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS

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