100445-51-0

Basic information

• Product Name: 2-cyclohexen-1-one, 3-[(4-fluorophenyl)amino]-5,5-dimethyl
• Synonyms: 2-cyclohexen-1-one, 3-[(4-fluorophenyl)amino]-5,5-dimethyl;3-[(4-fluorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
• CAS NO: 100445-51-0
• Molecular Formula: C₁₄H₁₆FNO
• Molecular Weight: 233.2813432
• Mol File: 100445-51-0.mol
• Article Data: 6

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2-cyclohexen-1-one, 3-[(4-fluorophenyl)amino]-5,5-dimethyl(CAS DataBase Reference)
• NIST Chemistry Reference: 2-cyclohexen-1-one, 3-[(4-fluorophenyl)amino]-5,5-dimethyl(100445-51-0)
• EPA Substance Registry System: 2-cyclohexen-1-one, 3-[(4-fluorophenyl)amino]-5,5-dimethyl(100445-51-0)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 100445-51-0(Hazardous Substances Data)

Upstream product

• 126-81-8 dimedone 
• 371-40-4 4-fluoroaniline 

Downstream Products

• 1579950-39-2 6,6-dimethyl-1-(4-fluorophenyl)-6,7-dihydrospiro[indole-3,1'-isoindoline]-2,3',4(1H,5H)-trione 
• 1276542-99-4 2-amino-1-(4-fluorophenyl)-4-(3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 
• 1276542-96-1 2-amino-4-(3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 
• 1276542-97-2 2-amino-4-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 
• 1276542-98-3 2-amino-1-(4-fluorophenyl)-4-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 
• 1276543-00-0 2-amino-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-4-(1-phenyl-3-p-tolyl-1H-pyrazol-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 
• 1276543-02-2 2-amino-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-4-(1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 
• 1276542-95-0 2-amino-4-(1,3-diphenyl-1H-pyrazol-4-yl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 
• 1276543-01-1 2-amino-1-(4-fluorophenyl)-7,7-dimethyl-4-(3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 
• 1345981-61-4 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-phenyl-3,4,6,7-tetrahydroacridine-1,8(2H,5H,9H,10H)-dione 

Relevant articles and documents

Synthesis, characterization, in silico molecular docking study and biological evaluation of a 5-(phenylthio) pyrazole based polyhydroquinoline core moiety

A multicomponent cyclocondensation reaction has been developed by incorporating 3-methyl-5-substituted phenylthio-1-phenyl-1H-pyrazole-4-carbaldehydes 3a-c, various enaminones 6a-c and different active methylene compounds 7a-c (malononitrile 7a/ethylcayno

Synthesis, characterization and biological activity of some new carbostyril bearing 1H-pyrazole moiety

In this study, 16 new 4-pyrazolyl-N-arylquinoline-2,5-dione 4 have been synthesized by the multicomponent reaction of pyrazole-4-carbaldehyde 1, Meldrum's acid 2 and 3-aryl-5,5-disubstitutedcyclohex-2-enone 3. The structures of compounds 4 were established by the combined use of 1HNMR, 13C NMR, FT-IR and mass spectra. All the 16 compounds were tested in vitro for their bacterial and fungal activity against a list of human pathogens, namely, Bacillus subtilis, Clostridium tetani, Streptococcus pneumoniae, Salmonella typhi, Vibrio cholerae, Escherichia coli, Aspergillus fumigatus and Candida albicans, using broth microdilution MIC (minimum inhibitory concentration) method. Some of the compounds were found to be the most effective analogs against the tested bacterial and fungal strains. Springer Science+Business Media, LLC 2011.

NaHSO4/SiO2: An efficient catalyst for the synthesis of β-enaminones and 2-methylquinolin-4(1H)-ones under solvent-free condition

An efficient and simplified protocol for NaHSO4/SiO2 catalyzed solvent-free synthesis of β-enaminone and 2-methylquinolin-4(1H)- one derivatives under microwave irradiation is described. A series of functionalized derivatives have been synthesized in shorter reaction times with moderate to good yields. The use of milder catalyst in non-conventional method offers significant advantages over conventional methods, such as higher selectivities, simplicity, solvent-free reaction and non-environmental polluting conditions.