2-(2-chlorophenyl)cyclohexanone

2-(2-chlorophenyl)cyclohexanone Basic information
Product Name:2-(2-chlorophenyl)cyclohexanone
Synonyms:2-(2-chlorophenyl)cyclohexanone;2-(2-chlorophenyl)cyclohexan-1-one;Cyclohexanone, 2-(2-chlorophenyl)-;(2-chlorophenyl)cyclohexanone;2-(2-Chlor-phenyl)-cyclohexanon
CAS:91393-49-6
MF:C12H13ClO
MW:208.68
EINECS:679-869-9
Product Categories:intermediates;91393-49-6;Pharm
Mol File:91393-49-6.mol
2-(2-chlorophenyl)cyclohexanone Structure
2-(2-chlorophenyl)cyclohexanone Chemical Properties
Melting point 60-62 °C
Boiling point 308.8±42.0 °C(Predicted)
density 1.165±0.06 g/cm3(Predicted)
form powder
color white crystalline
InChIInChI=1S/C12H13ClO/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1,3,5,7,10H,2,4,6,8H2
InChIKeyUOEXWLLNMGAJDD-UHFFFAOYSA-N
SMILESC1(=O)CCCCC1C1=CC=CC=C1Cl
Safety Information
MSDS Information
2-(2-chlorophenyl)cyclohexanone Usage And Synthesis
Chemical Propertieswhite crystalline powder.
Uses2-(2-Chlorophenyl)-cyclohexanone is a reactant that is used in the preparation of benzofurans via palladium-phosphine-catalyzed intramolecular enolate O-arylation of α-arylketones.
SynthesisTo a flame dried flask was added Cs2CO3 (6.5 g, 20 mmol), Pd2(dba)3 (184 mg, 0.2 mmol) and Xantphos (139 mmol, 0.24 mmol). After purging with N2, toluene (10 mL), ketone (15 mmol) and phenyl iodide (1.11 mL, 10 mmol) were added. After stirring overnight at 80 .MALE.C, the mixture was filtered and concentrated in vacuo to afford a residue, which was purified by flash chromatography to provide the desired 2-(2-chlorophenyl)cyclohexanone.
synthesis of 2-(2-chlorophenyl)cyclohexanone
2-(2-chlorophenyl)cyclohexanone Preparation Products And Raw materials
Raw materialsBenzene, 1-chloro-2-(2-nitrocyclohexyl)--->1-chloro-2-[(E)-2-nitroethenyl]benzene-->Cyclohexene oxide-->2-Bromochlorobenzene-->Cyclohexanone

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