55579-72-1

Basic information

• Product Name: 5-(4-FLUOROPHENYL)CYCLOHEXANE-1,3-DIONE
• Synonyms: 5-(4-Fluoroophenyl)-1,3-cyclohexanedione;4-(3,5-Dioxocyclohex-1-yl)fluorobenzene;5-(4-fluorophenyl)cyclohexane-1,3-quinone;539872_ALDRICH;AO-710/25079009;Bionet2_000128;ST5320177;ASISCHEM C66301
• CAS NO: 55579-72-1
• Molecular Formula: C₁₂H₁₁FO₂
• Molecular Weight: 206.21
• Product Categories: Ketones;Aryl Fluorinated Building Blocks;Building Blocks;C11 to C12;C8-C12;Carbonyl Compounds;Chemical Synthesis;Fluorinated Building Blocks;Organic Building Blocks;Organic Fluorinated Building Blocks;Other Fluorinated Organic Building Blocks;Miscellaneous;C11 to C12;Carbonyl Compounds
• Mol File: 55579-72-1.mol
• Article Data: 4

Chemical Properties

• Melting Point: 186-189 °C(lit.)
• Boiling Point: 353.8 °C at 760 mmHg
• Flash Point: 135.4 °C
• Appearance: /
• Density: 1.228 g/cm³
• Vapor Pressure: 3.51E-05mmHg at 25°C
• Refractive Index: 1.536
• PKA: 4.90±0.20(Predicted)
• CAS DataBase Reference: 5-(4-FLUOROPHENYL)CYCLOHEXANE-1,3-DIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(4-FLUOROPHENYL)CYCLOHEXANE-1,3-DIONE(55579-72-1)
• EPA Substance Registry System: 5-(4-FLUOROPHENYL)CYCLOHEXANE-1,3-DIONE(55579-72-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• WGK Germany: 3
• Hazardous Substances Data: 55579-72-1(Hazardous Substances Data)

Usage

General Description

5-(4-Fluorophenyl)-1,3-cyclohexanedione is a cyclohexane-1,3-dione derivative.

InChI:InChI=1/C12H11FO2/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-4,9H,5-7H2

Upstream product

• 65300-29-0 4-(4-fluorophenyl)but-3-en-2-one 
• 105-53-3 diethyl malonate 
• 459-57-4 4-fluorobenzaldehyde 

Downstream Products

• 55579-50-5 7-chloro-3-(4-fluorophenyl)-10-hydroxy-1-oxo-1,2,3,4-tetrahydro-9 (10H)-acridone 
• 61888-45-7 3-Chloro-5-(4-fluoro-phenyl)-cyclohex-2-enone 
• 61888-66-2 (4'-Fluoro-5-methoxy-biphenyl-3-yl)-acetic acid 
• 61888-50-4 [5-(4-Fluoro-phenyl)-3-oxo-cyclohex-1-enyl]-acetic acid methyl ester 
• 1002342-42-8 C₂₇H₂₁FN₄OS 
• 1083067-13-3 2-acetyl-5-(4-fluorophenyl)cyclohexane-1,3-dione 
• 945298-72-6 2-amino-7-(4-fluoro-phenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one 
• 1083067-14-4 C₁₈H₂₀FNO₂ 
• 1083066-89-0 2-amino-7-(4-fluoro-phenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one oxime 
• 1083066-90-3 2-amino-7-(4-fluoro-phenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one O-methyl-oxime 
• 1083067-06-4 2-amino-7-(4-fluoro-phenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one O-(2-dimethylamino-ethyl)-oxime 
• 1312794-15-2 C₁₂H₁₀BrFO 
• 1312797-58-2 C₂₁H₁₇FO 
• 1312797-59-3 C₂₁H₁₇FO₂ 

Relevant articles and documents

Construction of Multiple-Substituted Chiral Cyclohexanes through Hydrogenative Desymmetrization of 2,2,5-Trisubstituted 1,3-Cyclohexanediones

The construction of chiral multiple-substituted cyclohexanes motifs is a challenging topic in organic synthesis. By the combination of desymmetrization and remote stereocontrol, a ruthenium-catalyzed transfer hydrogenative desymmetrization of 2,2,5-trisubstituted 1,3-cyclohexanediones has been successfully developed for the construction of chiral multiple-substituted cyclohexanes with high enantioselectivity and diastereoselectivity. When an ester group was introduced to the two-position, a hydrogenative desymmetrization/transesterification cascade occurred, affording the bicyclic lactones bearing three stereocenters, including two discrete stereocenters and one quaternary stereogenic center, with high enantioselectivity. The products are the multiple-substituted chiral cyclohexanes bearing the hydroxyl and carbonyl functional groups, which provide a new opportunity for further precise elaboration.

SUBSTITUTED DIHYDROPYRIDINES AND METHODS OF USE

Compounds are provided that are modulators of the C5a receptor. The compounds are substituted dihydropyridines and are useful in pharmaceutical compositions, methods for the treatment of diseases and disorders involving the pathologic activtation of C5a receptors.