Conditions | Yield |
---|---|
With tetra-n-butylammonium cyanide In tetrahydrofuran for 1.5h; Ambient temperature; | A 12% B 100% |
N-[1-(4-Chloro-phenyl)-1-cyano-2-phenyl-ethyl]-N-phenyl-benzamide
4'-chloro-2-phenylacetophenone
Conditions | Yield |
---|---|
With potassium hydroxide In ethanol; water Heating; | 99% |
S-phenyl 4-chlorobenzothioate
benzyl(bromo)zinc
4'-chloro-2-phenylacetophenone
Conditions | Yield |
---|---|
With (phenyl)(bis-triphenylphosphine)palladium(II) chloride In tetrahydrofuran; toluene at 20℃; for 1h; Fukuyama Coupling; Inert atmosphere; | 98% |
4-chlorobenzenesulfinic acid
phenylacetonitrile
4'-chloro-2-phenylacetophenone
Conditions | Yield |
---|---|
With [2,2]bipyridinyl; sulfuric acid; water; palladium diacetate In 2-methyl-propan-1-ol at 100℃; for 6h; Inert atmosphere; | 95% |
2-(4-chlorophenyl)-2-oxo-1-phenylethyl benzoate
4'-chloro-2-phenylacetophenone
Conditions | Yield |
---|---|
With palladium(II) trifluoroacetate; hydrogen; [(4S)-4-[5-bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphanyl-1,3-benzodioxol-4-yl]-4,5,6,7-tetrahydro-1,3-benzodioxol-5-yl]-bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphane In acetone at 60℃; under 45004.5 Torr; for 24h; Glovebox; Autoclave; chemoselective reaction; | 94% |
2-(4-chlorophenyl)-2-oxo-1-phenylethyl acetate
4'-chloro-2-phenylacetophenone
Conditions | Yield |
---|---|
With tris(bipyridine)ruthenium(II) dichloride hexahydrate; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; triethylamine In acetonitrile at 20℃; for 1h; Inert atmosphere; UV-irradiation; | 92% |
Conditions | Yield |
---|---|
With bis-triphenylphosphine-palladium(II) chloride; zinc In 1,2-dimethoxyethane for 0.333333h; Ambient temperature; | 90% |
With bis-triphenylphosphine-palladium(II) chloride; zinc In 1,2-dimethoxyethane at 20℃; for 0.5h; Inert atmosphere; Schlenk technique; |
Conditions | Yield |
---|---|
With iron(II) chloride In tetrahydrofuran at 25℃; for 0.5h; Reagent/catalyst; Solvent; Inert atmosphere; Schlenk technique; | 90% |
4'-chloro-2-phenylacetophenone
Conditions | Yield |
---|---|
With ethylenediamine In tetrahydrofuran for 4h; Heating; | 88% |
Conditions | Yield |
---|---|
With zinc(II) oxide at 20℃; for 0.0833333h; Friedel-Crafts acylation; | 85% |
With aluminum (III) chloride In dichloromethane at 0 - 20℃; | 79% |
With aluminium trichloride at 20℃; | 74% |
4-chloro-benzoyl chloride
benzyltetrabutyl stiborane
4'-chloro-2-phenylacetophenone
Conditions | Yield |
---|---|
In tetrahydrofuran for 1h; Ambient temperature; | 85% |
phenyl 1H-imidazole-1-sulfonate
para-chloroacetophenone
4'-chloro-2-phenylacetophenone
Conditions | Yield |
---|---|
With palladium diacetate; caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,4-dioxane at 110℃; for 24h; Inert atmosphere; chemoselective reaction; | 84% |
Conditions | Yield |
---|---|
With 1,4-diaza-bicyclo[2.2.2]octane; 3,7-bis(dimethylamine)phenothiazonium In acetonitrile at 25℃; Irradiation; Green chemistry; | 83% |
4'-chloro-2-phenylacetophenone
Conditions | Yield |
---|---|
With ammonium cerium(IV) nitrate In water; acetonitrile at 50 - 55℃; for 0.166667h; | 81% |
4-Chlorophenylboronic acid
phenylacetonitrile
4'-chloro-2-phenylacetophenone
Conditions | Yield |
---|---|
With [2,2]bipyridinyl; potassium fluoride; acetic acid; palladium diacetate In tetrahydrofuran at 80℃; for 48h; | 80% |
phenylacetic acid
Methyl 4-chlorobenzoate
4'-chloro-2-phenylacetophenone
Conditions | Yield |
---|---|
With lithium hexamethyldisilazane In tetrahydrofuran; N,N-dimethyl-formamide at -4℃; Claisen Condensation; Inert atmosphere; | 80% |
With sodium hexamethyldisilazane In N,N-dimethyl-formamide at -10℃; for 3.5h; |
Conditions | Yield |
---|---|
With methanol In water at -5℃; for 0.5h; Irradiation; Green chemistry; | 77% |
1-(2-(4-chlorophenyl)-2-oxoethyl)tetrahydro-1H-thiophen-1-ium tetraphenylborate
4'-chloro-2-phenylacetophenone
Conditions | Yield |
---|---|
In toluene at 120℃; Inert atmosphere; | 76% |
1-(4-chloro-benzoyl)-1H-imidazole
diethyl 2,6-dimethyl-4-benzyl-1,4-dihydropyridine-3,5-dicarboxylate
4'-chloro-2-phenylacetophenone
Conditions | Yield |
---|---|
With [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate; caesium carbonate; 1,4-dimethyl-1,2,4-triazolium iodide In acetonitrile at 20℃; Inert atmosphere; Irradiation; Sealed tube; | 76% |
benzyl chloride
4-chloro-benzoyl chloride
4'-chloro-2-phenylacetophenone
Conditions | Yield |
---|---|
With nickel In 1,2-dimethoxyethane at 85℃; for 0.25h; | 72% |
tris(4-chlorophenyl)bismuthane
phenylacetyl chloride
A
4,4'-dichlorobiphenyl
B
4'-chloro-2-phenylacetophenone
Conditions | Yield |
---|---|
With bis-triphenylphosphine-palladium(II) chloride; triethylamine In tetrahydrofuran at 80℃; for 3h; Schlenk tube; Inert atmosphere; | A n/a B 71% |
4-vinylbenzyl chloride
benzenediazonium tetrafluoroborate
4'-chloro-2-phenylacetophenone
Conditions | Yield |
---|---|
With ascorbic acid In N,N-dimethyl-formamide at 20℃; for 20h; Cooling with ice; | 71% |
N-Benzyl-N-(benzylsulfanyl-phenyl-methyl)-4-chloro-benzamide
A
N-benzylidene benzylamine
B
4'-chloro-2-phenylacetophenone
Conditions | Yield |
---|---|
With lithium diisopropyl amide In tetrahydrofuran for 4h; Ambient temperature; addition, -70 deg C; | A n/a B 70% C n/a |
1-(4-Chloro-phenyl)-2-phenyl-1-quinazolin-4-yl-ethanol
4'-chloro-2-phenylacetophenone
Conditions | Yield |
---|---|
With potassium cyanide In N,N-dimethyl-formamide at 80℃; for 1h; | 68% |
1-(4-Chloro-phenyl)-2-phenyl-1-quinazolin-4-yl-ethanol
A
quinazoline-4-carbonitrile
B
quinazoline-4-carbonamide
C
4-benzyl-quinazoline
D
4'-chloro-2-phenylacetophenone
Conditions | Yield |
---|---|
With potassium cyanide In N,N-dimethyl-formamide at 80℃; for 1h; | A 9% B 10% C 9% D 68% |
sodium p-chlorobenzenesulphinate
phenylacetonitrile
4'-chloro-2-phenylacetophenone
Conditions | Yield |
---|---|
With palladium(II) trifluoroacetate; trifluoroacetic acid; 6-methyl-2,2'-bipyridine In tetrahydrofuran; water at 100℃; for 1h; Microwave irradiation; | 66% |
Conditions | Yield |
---|---|
With copper(l) cyanide; lithium chloride In tetrahydrofuran at 0℃; for 2h; Inert atmosphere; | 60% |
Conditions | Yield |
---|---|
With dipotassium hydrogenphosphate; nickel(II) chloride hexahydrate; 4-acetoxybenzophenone; 4,4'-di-tert-butyl-2,2'-bipyridine at 35℃; for 48h; Inert atmosphere; Sealed tube; Irradiation; Schlenk technique; | 60% |
4'-chloro-2-phenylacetophenone
Conditions | Yield |
---|---|
With potassium hydroxide In ethanol Heating; | 58% |
benzyl (N-benzyl-p-chlorobenzamido)methylsulfide
4'-chloro-2-phenylacetophenone
Conditions | Yield |
---|---|
With sodium hydride In tetrahydrofuran for 13h; Heating; | 55% |
With sodium hydride In tetrahydrofuran for 13h; Heating; | 55% |
Conditions | Yield |
---|---|
With bromine In diethyl ether for 0.5h; | 100% |
With copper(II) nitrate trihydrate; hydrogen bromide; oxygen In acetic acid at 60℃; for 4.5h; Green chemistry; | 91% |
With bromine In chloroform; acetic acid at 20℃; for 24h; | 86% |
4'-chloro-2-phenylacetophenone
4-chlorobenzil
Conditions | Yield |
---|---|
With 1,4-diaza-bicyclo[2.2.2]octane In N,N-dimethyl-formamide at 90℃; for 24h; | 100% |
With potassium hydrogencarbonate; dimethyl sulfoxide at 80℃; | 91% |
With oxygen; copper(II) acetate monohydrate; potassium carbonate In N,N-dimethyl-formamide at 50℃; under 760.051 Torr; for 0.5h; | 87% |
N,N-dimethyl-formamide dimethyl acetal
4'-chloro-2-phenylacetophenone
C17H16ClNO
Conditions | Yield |
---|---|
In toluene at 20 - 50℃; for 156h; | 100% |
3-Iodotoluene
4'-chloro-2-phenylacetophenone
1-(4-chlorophenyl)-2-phenyl-2-m-tolylethanone
Conditions | Yield |
---|---|
With copper(l) iodide; 1,10-Phenanthroline; caesium carbonate In 1,4-dioxane at 110℃; for 24h; Inert atmosphere; | 99% |
3,5-dimethylphenyl iodide
4'-chloro-2-phenylacetophenone
1-(4-chlorophenyl)-2-(3,5-dimethylphenyl)-2-phenylethanone
Conditions | Yield |
---|---|
With copper(l) iodide; 1,10-Phenanthroline; caesium carbonate In 1,4-dioxane at 110℃; for 24h; Inert atmosphere; | 99% |
With copper(l) iodide; caesium carbonate; 1,7-phenanthroline In 1,4-dioxane at 110℃; for 24h; Inert atmosphere; | 95% |
4-fluoro-1-iodobenzene
4'-chloro-2-phenylacetophenone
2-(4-fluorophenyl)-2-(4-chlorophenyl)-1-phenylethanone
Conditions | Yield |
---|---|
With copper(l) iodide; 2-acetylcyclohexanone; caesium carbonate In tert-butyl alcohol at 70℃; for 24h; Inert atmosphere; | 99% |
4'-chloro-2-phenylacetophenone
(1S)-(-)-1-(4'-chlorophenyl)-2-phenylethanol
Conditions | Yield |
---|---|
With (S)-methyl oxazaboralidine; borane In tetrahydrofuran at 30℃; for 1h; | 98% |
With D-glucose In ethanol; hexane; water; allyl alcohol at 50℃; for 168h; optical yield given as %ee; enantioselective reaction; |
4'-chloro-2-phenylacetophenone
(R)-1-(4'-chlorophenyl)-2-phenylethanol
Conditions | Yield |
---|---|
With borane-THF In tetrahydrofuran at 30℃; for 16h; Inert atmosphere; optical yield given as %ee; enantioselective reaction; | 98% |
Multi-step reaction with 2 steps 1: sodium tetrahydroborate / methanol; dichloromethane / 24 h / 20 °C 2: Pseudomonas cepacia lipase / tert-butyl methyl ether / 168 h / 20 °C / Resolution of racemate View Scheme | |
Multi-step reaction with 2 steps 1: sodium tetrahydroborate / methanol; dichloromethane / 24 h / 20 °C 2: Porcine pancreas lipase type II / tert-butyl methyl ether / 264 h / 40 °C / Resolution of racemate View Scheme |
5,5-dimethyl-2-(2-methylallyl)-1,3,2-dioxaborinane
4'-chloro-2-phenylacetophenone
(R)-2-(4-chlorophenyl)-4-methyl-1-phenylpent-4-en-2-ol
Conditions | Yield |
---|---|
With (S)-3,3'-difluoro-1,1'-binaphthyl-2,2'-diol In tert-Amyl alcohol at 40℃; for 2h; Inert atmosphere; enantioselective reaction; | 97% |
Conditions | Yield |
---|---|
With tetrabutylammonium tricarbonylnitrosylferrate In acetonitrile at 100℃; for 30h; Michael Addition; Inert atmosphere; Schlenk technique; | 97% |
4'-chloro-2-phenylacetophenone
1-(4-chlorophenyl)-2-phenylethanol
Conditions | Yield |
---|---|
With sodium tetrahydroborate In ethanol | 96% |
With sodium tetrahydroborate In methanol; dichloromethane at 20℃; for 24h; | 94% |
With C19H29N4Ru(1+)*C24H20B(1-); potassium hydroxide In isopropyl alcohol at 80℃; for 2h; Inert atmosphere; Schlenk technique; | 92% |
1,2-diamino-benzene
4'-chloro-2-phenylacetophenone
2-(4-chlorophenyl)-3-phenylquinoxaline
Conditions | Yield |
---|---|
With 1,4-diaza-bicyclo[2.2.2]octane In N,N-dimethyl-formamide at 90℃; for 3h; | 96% |
With [Cu(II)[5,11,17,23-tetrakis(trimethylammonium)-25,26,27,28-tetrahydroxycalix[4]arene](H2O)]I2; oxygen; potassium carbonate In water for 15h; Reflux; Green chemistry; | 88% |
2-azido-1,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium hexafluorophosphate (V)
4'-chloro-2-phenylacetophenone
C19H20ClN3O
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran; acetonitrile at 0℃; for 0.5h; | 96% |
methanol
4'-chloro-2-phenylacetophenone
1-(4-chlorophenyl)-2-phenyl-1-propanone
Conditions | Yield |
---|---|
With C34H27IrN2P(1+)*C32H12BF24(1-); caesium carbonate at 65℃; for 24h; Inert atmosphere; | 96% |
With sodium hydroxide at 100℃; for 15h; Sealed tube; Autoclave; Inert atmosphere; | 85% |
bromoacetic acid methyl ester
4'-chloro-2-phenylacetophenone
β-p-Chlorbenzoyl-β-phenyl-propionsaeure-methylester
Conditions | Yield |
---|---|
With sodium hydride In dimethyl sulfoxide at 20℃; for 1h; | 95% |
benzaldehyde
toluene-4-sulfonamide
4'-chloro-2-phenylacetophenone
(2S,3S)-1-(4-chlorophenyl)-2,3-diphenyl-3-(tosylamino)propan-1-one
Conditions | Yield |
---|---|
With C35H32F6N4OS In toluene at 0℃; for 35h; Mannich Aminomethylation; Molecular sieve; enantioselective reaction; | 95% |
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dimethyl sulfoxide at 25℃; for 0.82h; regioselective reaction; | 95% |
2-Amino-5-chlorobenzophenone
4'-chloro-2-phenylacetophenone
2-(4-chlorophenyl)-3,4-diphenyl-6-chloroquinoline
Conditions | Yield |
---|---|
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide In ethyl acetate at 60℃; Friedlaender synthesis; | 94% |
Conditions | Yield |
---|---|
With C34H27MnNO3P2(1+)*Br(1-); potassium tert-butylate In tert-Amyl alcohol at 135℃; for 24h; | 94% |
4'-chloro-2-phenylacetophenone
1,4-bis(4-chlorophenyl)-2,3-diphenylbutane-1,4-dione
Conditions | Yield |
---|---|
With silver fluoride In 5,5-dimethyl-1,3-cyclohexadiene at 140℃; for 4.5h; | 93% |
With copper(II) acetate monohydrate In 5,5-dimethyl-1,3-cyclohexadiene at 140℃; for 2h; | 81% |
In benzene Irradiation; |
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dimethyl sulfoxide at 25℃; for 0.5h; regioselective reaction; | 93% |
2-aminopyridine
4'-chloro-2-phenylacetophenone
2-(4-chlorophenyl)-3-phenylimidazo[1,2-a]pyridine
Conditions | Yield |
---|---|
With potassium hydrogencarbonate In acetonitrile at 80℃; for 4h; | 91% |
thiourea
4'-chloro-2-phenylacetophenone
Conditions | Yield |
---|---|
With cesium bicarbonate; Bromotrichloromethane In acetonitrile at 80℃; for 2h; | 91% |
Conditions | Yield |
---|---|
With tetra(n-butyl)ammonium hydrogensulfate; potassium hydroxide In water at 100℃; for 24h; Inert atmosphere; regioselective reaction; | 91% |
The Ethanone,1-(4-chlorophenyl)-2-phenyl-, with CAS registry number 1889-71-0, belongs to the following product category: Aromatic Ketones (substituted). It has the systematic name of 1-(4-chlorophenyl)-2-phenylethanone. And the chemical formula of this chemical is C14H11ClO. This chemical should be stored in cool, dry place.
Physical properties of Ethanone,1-(4-chlorophenyl)-2-phenyl-: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.593; (8)Molar Refractivity: 65.66 cm3; (9)Molar Volume: 193.6 cm3; (10)Polarizability: 26.03×10-24cm3; (11)Surface Tension: 44.6 dyne/cm; (12)Enthalpy of Vaporization: 61.17 kJ/mol; (13)Vapour Pressure: 1.57E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by phenylacetyl chloride and chlorobenzene. This reaction will need reagent AlCl3. The reaction temperature is 20°C. The yield is about 74%.
Uses of Ethanone,1-(4-chlorophenyl)-2-phenyl-: it can be used to produce 2-bromo-1-(4-chloro-phenyl)-2-phenyl-ethanone. This reaction will need reagents tetrachloromethane, bromine.
When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(4-chlorophenyl)-2-phenyl- has risk of serious damage to the eyes. This chemical may cause sensitization by skin contact. And it is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so avoid release to the environment. Refer to special instructions / safety data sheets. If contact with eyes, rinse immediately with plenty of water and seek medical advice. This material and its container must be disposed of as hazardous waste.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Cl)cc1)Cc2ccccc2
(2)InChI: InChI=1/C14H11ClO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9H,10H2
(3)InChIKey: DXVALSKCLLBZEB-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C14H11ClO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9H,10H2
(5)Std. InChIKey: DXVALSKCLLBZEB-UHFFFAOYSA-N
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