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CAS No.: | 6084-17-9 |
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Name: | 2-Chloropropiophenone |
Article Data: | 59 |
Molecular Structure: | |
Formula: | C9H9 Cl O |
Molecular Weight: | 168.623 |
Synonyms: | Propiophenone,2-chloro- (6CI,7CI,8CI); 2-Chloro-1-phenyl-1-propanone; 2-Chloropropiophenone;NSC 5663; a-Chloropropiophenone |
Density: | 1.129g/cm3 |
Melting Point: | 125-128°C(lit.) |
Boiling Point: | 241.8ºC at 760 mmHg |
Flash Point: | 118.4ºC |
Risk Codes: | 36/37/38 |
PSA: | 17.07000 |
LogP: | 2.49660 |
Conditions | Yield |
---|---|
Stage #1: 1-phenyl-propan-1-one With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere; Stage #2: With methyl chlorosulfate In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere; | 100% |
With chloro-trimethyl-silane; tetrabutylammomium bromide; dimethyl sulfoxide In acetonitrile for 5h; | 94% |
With sulfuryl dichloride for 2h; Ambient temperature; | 93% |
Conditions | Yield |
---|---|
With magnesium(II) chloride hexahydrate; cobalt(II) chloride hexahydrate; sulfuric acid; oxygen; lithium perchlorate In dichloromethane; acetone at 40℃; for 11h; Electrolysis; Sealed tube; chemoselective reaction; | 95% |
With magnesium(II) chloride hexahydrate; oxygen; lithium perchlorate; manganese(ll) chloride In dichloromethane; acetone at 40℃; for 40h; Electrochemical reaction; | 92% |
With oxygen; iron(III) chloride In pyridine; tetrachloromethane for 0.5h; Irradiation; | 66% |
Conditions | Yield |
---|---|
With N,N-dichloro-p-toluenesulfonamide In acetonitrile at 35℃; for 1h; | 94% |
With N,N-dichloro-p-toluenesulfonamide In acetonitrile at 40℃; for 1.5h; solvent effects for the synthesis α-chloro ketones; reactions with the solvents CCl4, THF, and pyridine. Oxychlorination of other secondary alcohols in acetonitrile.; | 94% |
With methanol; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; trichloroisocyanuric acid In dichloromethane at 20℃; for 2h; Reagent/catalyst; | 88% |
Conditions | Yield |
---|---|
With [hydroxy(tosyloxy)iodo]benzene; water; toluene-4-sulfonic acid In acetonitrile at 20℃; for 20h; | 94% |
Conditions | Yield |
---|---|
With S4N4*SbCl5 In toluene for 9h; Heating; | 88% |
With potassium chloride In ethanol at 82.5℃; under 725 Torr; Equilibrium constant; | |
With hydrogenchloride In ethanol |
Conditions | Yield |
---|---|
With N-chloro-succinimide; [{Cp*IrCl2}]2 In tetrahydrofuran; water at 20℃; for 20h; | 80% |
(Z)-tert-butyldimethyl((1-phenylprop-1-en-1-yl)oxy)silane
2-chloro-1-phenylpropan-1-one
Conditions | Yield |
---|---|
With samarium(III) trifluoromethanesulfonate In tetrahydrofuran; dichloromethane at -78℃; for 0.166667h; | 76% |
2-(dimethyl(oxo)-λ6-sulfaneylidene)-1-phenylethan-1-one
methyl iodide
2-chloro-1-phenylpropan-1-one
Conditions | Yield |
---|---|
With tetrabutyl-ammonium chloride In acetonitrile at 25℃; for 24h; Sealed tube; | 66% |
1-phenyl-propan-1-one
A
2-chloro-1-phenylpropan-1-one
B
2-phenylpropionic acid methyl ester
Conditions | Yield |
---|---|
With iodine trichloride; trimethyl orthoformate at 23℃; for 24h; | A 26% B 62% |
propiophenone dimethyl acetal
A
2-chloro-1-phenylpropan-1-one
B
2-phenylpropionic acid methyl ester
Conditions | Yield |
---|---|
With iodine trichloride; trimethyl orthoformate at 23℃; for 24h; | A 32% B 55% |
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Molecular Structure:
Molecular Formula: C9H9ClO
Molecular Weight: 168.6202
IUPAC Name: 2-Chloro-1-phenylpropan-1-one
Synonyms of 2-Chloropropiophenone (CAS NO.86847-71-4): 2-Chloro-1-phenylpropan-1-one
CAS NO: 86847-71-4
Classification Code: ACETYLHALIDE
Index of Refraction: 1.524
Molar Refractivity: 45.72 cm3
Molar Volume: 149.2 cm3
Surface Tension: 37 dyne/cm
Density: 1.129 g/cm3
Flash Point: 118.4 °C
Enthalpy of Vaporization: 47.88 kJ/mol
Boiling Point: 241.8 °C at 760 mmHg
Vapour Pressure of 2-Chloropropiophenone (CAS NO.86847-71-4): 0.0351 mmHg at 25°C
Risk Statements of 2-Chloropropiophenone (CAS NO.86847-71-4): 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.