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4'-Chloropropiophenone

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Name

4'-Chloropropiophenone

EINECS 228-511-6
CAS No. 6285-05-8 Density 1.128 g/cm3
PSA 17.07000 LogP 2.93270
Solubility insoluble in water Melting Point 34-37 °C
Formula C9H9ClO Boiling Point 276.6 °C at 760 mmHg
Molecular Weight 168.63 Flash Point 123.5 °C
Transport Information Appearance crystalline mass
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 6285-05-8 (1-Propanone,1-(4-chlorophenyl)-) Hazard Symbols IrritantXi
Synonyms

Propiophenone,4'-chloro- (6CI,7CI,8CI);1-(4-Chlorophenyl)-1-propanone;4-Chloropropiophenone;Ethyl p-chlorophenyl ketone;NSC5600;p-Chloropropiophenone;4'-Chloropropiophenone;

 

4'-Chloropropiophenone Synthetic route

1745-18-2

1-allyl-4-chlorobenzene

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
With tert.-butylhydroperoxide; palladium diacetate; toluene-4-sulfonic acid In water; acetonitrile at 20℃; for 6h; Wacker Oxidation; chemoselective reaction;98%
79-03-8

propionyl chloride

108-90-7

chlorobenzene

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
With aluminum (III) chloride In dichloromethane at 10 - 25℃; for 2h; Solvent; Temperature; Reagent/catalyst;96.5%
With aluminum (III) chloride at 0 - 60℃; Inert atmosphere;87%
With aluminium trichloride for 3h; Friedel-Crafts acylation; cooling;74%
56962-09-5

1-(4-chlorophenyl)-N-hydroxypropan-1-imine

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
With cetyltrimethylammonium peroxodisulphate In acetonitrile for 0.366667h; Reflux;94%
58824-54-7

p-chlorophenylvinylcarbinol

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
With 2C25H28N2OP(1-)*2Cl(1-)*2Ru(2+) In tetrahydrofuran at 80℃; for 4h; Inert atmosphere; Schlenk technique; Sealed tube;93%
With tetrapropylammonium perruthennate; undecan-2-ol In fluorobenzene Isomerization; Heating;87%
With C13H21Cl2N3PRu(1+)*Cl(1-); potassium carbonate In tetrahydrofuran at 75℃; for 20h; Catalytic behavior; Inert atmosphere; Sealed tube;80%
99360-14-2

C10H12ClN3O

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
With cetyltrimethylammonium peroxodisulphate In acetonitrile for 0.466667h; Reflux;90%
67-56-1

methanol

3391-10-4

1-(p-chlorophenyl)ethyl alcohol

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
With chlorine[2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyridine](pentamethylcyclopentadienyl)iridium(III) chloride; potassium hydroxide In water at 80℃; Schlenk technique; Inert atmosphere;90%
With chlorine[2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyridine](pentamethylcyclopentadienyl)iridium(III) chloride; potassium hydroxide In water at 80℃; for 14h; Schlenk technique; Inert atmosphere; chemoselective reaction;90%

C10H13ClO

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
With dihydrogen peroxide; bromine In dichloromethane; water at 20℃; for 24h;89%
13856-85-4

1-(4-chlorophenyl)-1-propanol

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
With peracetic acid; 4-acetylamino-2,2,6,6-tetramethyl-1-piperidinoxy In acetonitrile at 20℃; for 10h;88%
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium acetate; (S)-3-phenyl-2-(phenylamino)propionic acid; copper(ll) bromide In water for 24h; Reflux; Schlenk technique;87%
With diisopropoxyaluminium trifluoroacetate; 4-nitrobenzaldehdye In benzene for 0.75h; Ambient temperature;85%
122-01-0

4-chloro-benzoyl chloride

EtMgX

EtMgX

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
With iron(III)-acetylacetonate In tetrahydrofuran at -78℃;87%
1021934-07-5

C9H10BrClO

A

6285-05-8

4'-chloropropiophenone

B

5586-88-9

1-(4-chlorophenyl)propan-2-one

Conditions
ConditionsYield
With diethylzinc In dichloromethane at 20℃; for 2h;A 5%
B 86%
1679-18-1

4-Chlorophenylboronic acid

107-12-0

propiononitrile

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
With 1,10-Phenanthroline; nickel(II) bromide 2-methoxyethyl ether complex; sodium hydrogencarbonate In water at 100℃; for 5h; Autoclave;81%
74261-45-3

1-(4-chlorophenyl)-2-nitro-1-propanone

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
With tri-n-butyl-tin hydride; 2,2'-azobis(isobutyronitrile) In benzene at 80℃; for 1.5h;78%
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene at 80℃; for 2h;78%
With 1-Benzyl-1,4-dihydronicotinamide In N,N,N,N,N,N-hexamethylphosphoric triamide for 48h; Ambient temperature; Irradiation;62%
With 1-Benzyl-1,4-dihydronicotinamide In N,N,N,N,N,N-hexamethylphosphoric triamide for 48h; Ambient temperature; Irradiation;45%
157894-17-2

N-<1-(4-chlorophenyl)propylidene>-2,6-xylylamine

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
With hydrogenchloride In tetrahydrofuran for 15h; Ambient temperature;78%
61820-94-8

1-(4-chlorophenyl)-2-tosylethanone

75-16-1

methylmagnesium bromide

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
With bis(triphenylphosphine)nickel(II) diiodide; tricyclohexylphosphine In tetrahydrofuran at 80℃; Kumada Cross-Coupling; Inert atmosphere;77%
925-90-6

ethylmagnesium bromide

122334-37-6

4-chloro-N-methoxy-N-methylbenzamide

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
In diethyl ether at 0℃; for 3h;77%

Zn(2+)*Li(1+)*2C3H7(1-)*C5H11(1-)

74-11-3

para-chlorobenzoic acid

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
Stage #1: para-chlorobenzoic acid With methyllithium In tetrahydrofuran; diethyl ether at -78℃; for 1h; Schlenk technique; Inert atmosphere;
Stage #2: Zn(2+)*Li(1+)*2C3H7(1-)*C5H11(1-) In 1,4-dioxane at 50℃; for 18h; Schlenk technique; Inert atmosphere; chemoselective reaction;
76%
99-91-2

para-chloroacetophenone

68-12-2, 33513-42-7

N,N-dimethyl-formamide

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
With ammonium peroxydisulfate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer In water at 110℃; for 3h; Inert atmosphere; Sealed tube;73%
14752-66-0

sodium p-chlorobenzenesulphinate

107-12-0

propiononitrile

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
With palladium(II) trifluoroacetate; trifluoroacetic acid; 6-methyl-2,2'-bipyridine In tetrahydrofuran; water at 100℃; for 1h; Microwave irradiation;73%
802294-64-0

propionic acid

108-90-7

chlorobenzene

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
With polyphosphoric acid for 0.025h; Microwave irradiation;70%
126918-29-4, 877-38-3

2-chloro-1-(4-chlorophenyl)propan-1-one

A

6285-05-8

4'-chloropropiophenone

B

49656-24-8

1-(4-chlorophenyl)-2-hydroxypropan-1-one

C

938-95-4

2-(4-Chloro-phenyl)-propionic acid

Conditions
ConditionsYield
With methyloxirane In water; acetone Irradiation; pH neutral;A 25%
B 20%
C 45%
106-39-8

bromochlorobenzene

123-38-6

propionaldehyde

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
Stage #1: bromochlorobenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h;
Stage #2: propionaldehyde In tetrahydrofuran; hexane at -78℃; for 1h;
Stage #3: With iodine; potassium carbonate In tert-butyl alcohol for 4h; Reflux;
45%
126918-29-4, 877-38-3

2-chloro-1-(4-chlorophenyl)propan-1-one

A

6285-05-8

4'-chloropropiophenone

B

50415-70-8

methyl 2-(p-chlorophenyl)propionate

C

90919-32-7

α-methoxy-p-chloropropiophenone

Conditions
ConditionsYield
With methyloxirane In methanol Irradiation; pH neutral;A 24%
B n/a
C 30%
56741-11-8

methylidene di(4-chlorobenzoate)

925-90-6

ethylmagnesium bromide

A

6285-05-8

4'-chloropropiophenone

B

25800-30-0

propyl 4-chloro benzoate

C

76481-35-1

3-(4'-chlorophenyl)pentan-3-ol

D

74-11-3

para-chlorobenzoic acid

Conditions
ConditionsYield
In tetrahydrofuran at 0 - 20℃; for 3h; Substitution; addition;A 21%
B 26%
C 16%
D 17%
627-39-4

propionaldehyde oxime

17333-85-6

4-chlorophenyldiazonium salt

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
With sodium acetate; copper(II) sulfate; sodium sulfite in wss. Loesung und anschl. mit wss. HCl;
17333-85-6

4-chlorophenyldiazonium salt

N,N-dipropyl-hydroxylamine; hydrochloride

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
With sodium hydroxide; water Behandeln des Reaktionsgemisches mit Luft und anschl. Erhitzen mit ws. HCl;
67471-39-0

1-(p-chlorophenyl)-1-methoxyethene

A

6285-05-8

4'-chloropropiophenone

B

74103-64-3

1,4-bis-(4-chloro-phenyl)-2-methyl-butane-1,4-dione

Conditions
ConditionsYield
at 300℃;
123-62-6

propionic acid anhydride

108-90-7

chlorobenzene

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
With carbon disulfide; aluminium trichloride
623-03-0

4-Cyanochlorobenzene

4736-60-1

ethyltriphenylphosphonium iodide

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
(i) nBuLi, (ii) /BRN= 1072122/, (iii) aq. HCl; Multistep reaction;
57169-53-6

1-(4-chlorophenyl)-2,2-dichloro-1-propanone

6285-05-8

4'-chloropropiophenone

Conditions
ConditionsYield
With hydrogen; methylamine; palladium on barium sulfate In methanol
127257-92-5

1-(4-Chlorophenyl)-2-(4-methoxyphenyl)-3-methylcyclopropane

A

6285-05-8

4'-chloropropiophenone

127257-97-0, 127308-73-0

r-3-(4-Chlorophenyl)-c-4-methyl-t-5-(4-methoxyphenyl)-1,2-dioxolane

127257-97-0, 127308-73-0

r-3-(4-Chlorophenyl)-t-4-methyl-c-5-(4-methoxyphenyl)-1,2-dioxolane

D

104-88-1

4-chlorobenzaldehyde

E

123-11-5

4-methoxy-benzaldehyde

F

4180-23-8

E-1-(4'-methoxyphenyl)prop-1-ene

Conditions
ConditionsYield
With magnesium(II) perchlorate; oxygen; 9,10-Dicyanoanthracene In acetonitrile for 0.0333333h; Rate constant; Thermodynamic data; Mechanism; Ambient temperature; Irradiation; ΔG;
6285-05-8

4'-chloropropiophenone

877-37-2

2-bromo-1-(4-chlorophenyl)-1-propanone

Conditions
ConditionsYield
With bromine at 20℃; for 0.333333h;100%
Stage #1: 4'-chloropropiophenone With bromine In methanol at 20℃; for 0.166667h;
Stage #2: With hydrogen bromide In methanol; water for 110h; Inert atmosphere;
98%
With bromine; hydrogen bromide In methanol at 20℃; for 110h; Inert atmosphere;98%
6285-05-8

4'-chloropropiophenone

93-55-0

1-phenyl-propan-1-one

Conditions
ConditionsYield
With potassium hydroxide; hydrogen; Aliquat 336; tetrakis(triphenylphosphine) palladium(0); 1-Decanol In 2,2,4-trimethylpentane at 25℃; for 2h; atmospheric pressure;100%
With palladium on activated charcoal; formic acid; N,N-dimethyl-formamide for 6h; Heating;85%
6285-05-8

4'-chloropropiophenone

95-92-1

oxalic acid diethyl ester

169544-41-6

4-(4-chlorophenyl)-3-methyl-2,4-dioxobutyric acid ethyl ester

Conditions
ConditionsYield
With sodium In ethanol at 20℃; for 18h; Claisen Condensation;100%
With lithium tert-butoxide In tetrahydrofuran at 0 - 20℃; for 4h; Claisen Condensation; Inert atmosphere;82%
Stage #1: oxalic acid diethyl ester With sodium ethanolate In ethanol at 20℃; for 0.166667h; Inert atmosphere;
Stage #2: 4'-chloropropiophenone In ethanol at 20℃; for 24h;
76.9%
6285-05-8

4'-chloropropiophenone

13856-85-4

1-(4-chlorophenyl)-1-propanol

Conditions
ConditionsYield
With sodium tetrahydroborate In ethanol at 0 - 20℃; for 4h;99%
With sodium tetrahydroborate In tetrahydrofuran; water for 0.25h; Heating;98%
With sodium tetrahydroborate; sodium hydrogen sulfate In acetonitrile at 20℃; for 0.333333h;97%
6285-05-8

4'-chloropropiophenone

72824-04-5

2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

3-(4-chlorophenyl)hex-5-en-3-ol

Conditions
ConditionsYield
With indium iodide In tetrahydrofuran at 40℃; for 24h;99%
With methanol; indium (III) tris(hexamethyldisilyl) amide In toluene at 20℃; for 6h; Inert atmosphere;98%
6285-05-8

4'-chloropropiophenone

65-85-0

benzoic acid

55705-16-3

1-(4-chlorophenyl)-1-oxopropan-2-yl benzoate

Conditions
ConditionsYield
With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide In decane; ethyl acetate at 75℃; for 24h; Product distribution / selectivity;99%
With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide In ethyl acetate at 20 - 75℃; for 23h;91%
With potassium carbonate; ethylene dibromide; potassium iodide In N,N-dimethyl-formamide at 60℃; Sealed tube;33%
6285-05-8

4'-chloropropiophenone

2564-83-2

2,2,6,6-tetramethyl-piperidine-N-oxyl

1394206-51-9

1-(4-chlorophenyl)-2-((2,2,6,6-tetramethylpiperidin-1-yl)oxy)propan-1-one

Conditions
ConditionsYield
With 2,6-di-tert-butyl-pyridine; 2-chloro-1,3,2-benzodioxaborole In dichloromethane at 0 - 20℃; for 3h;99%
6285-05-8

4'-chloropropiophenone

1118-71-4

2,2,6,6-tetramethylheptane-3,5-dione

1-(4-chlorophenyl)-6,6-dimethyl-4-pivaloylheptane-1,5-dione

Conditions
ConditionsYield
With [2,2]bipyridinyl; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; copper diacetate In 1,2-dichloro-benzene at 120℃; for 24h; Inert atmosphere; Schlenk technique;99%
6285-05-8

4'-chloropropiophenone

98-80-6

phenylboronic acid

37940-57-1

1-biphenyl-4-yl-propan-1-one

Conditions
ConditionsYield
With potassium phosphate; Pd(OAc)2*3H2O In 1,4-dioxane for 12h; Suzuki-Miyaura cross-coupling; Heating;98%
With 4,4'-(phenylphosphinediyl)bis(2,6-dimethylmorpholine); caesium carbonate; tris(dibenzylideneacetone)dipalladium (0) In 1,4-dioxane for 16h; Suzuki-Miyaura coupling; Heating;96%
6285-05-8

4'-chloropropiophenone

57-55-6

propylene glycol

2-(4-chlorophenyl)-2-ethyl-4-methyl-1,3-dioxolane

Conditions
ConditionsYield
toluene-4-sulfonic acid In toluene Heating / reflux; Dean-Stark apparatus;98%
110-91-8

morpholine

6285-05-8

4'-chloropropiophenone

1152853-28-5

2-morpholino-1-(4-(chloro)phenyl)propan-1-one

Conditions
ConditionsYield
With 2,6-bis[(4,4-dimethyl)-2-oxazolin-2-yl]pyridine copper bromide In dimethyl sulfoxide at 10℃; for 15h;98%
Stage #1: 4'-chloropropiophenone With 2,6-bis[(4,4-dimethyl)-2-oxazolin-2-yl]pyridine copper bromide In dimethyl sulfoxide at 20℃; for 0.166667h; Green chemistry;
Stage #2: morpholine In dimethyl sulfoxide at 10℃; for 10h; Green chemistry;
97%
With sodium percarbonate; ammonium iodide In acetonitrile at 50℃; for 18h;78%
With ammonium iodide In acetonitrile at 20℃; Electrolysis;48%
6285-05-8

4'-chloropropiophenone

potassium cyanide

52129-98-3

4-propionylbenzonitrile

Conditions
ConditionsYield
With copper(l) iodide; trans-N,N'-dimethylcyclohexane-1,2-diamine In acetonitrile at 200℃; for 1h; Microwave irradiation; Inert atmosphere;97%
110-89-4

piperidine

6285-05-8

4'-chloropropiophenone

1-(4-chlorophenyl)-2-(piperidin-1-yl)propan-1-one

Conditions
ConditionsYield
Stage #1: 4'-chloropropiophenone With 2,6-bis[(4,4-dimethyl)-2-oxazolin-2-yl]pyridine copper bromide In dimethyl sulfoxide at 20℃; for 0.166667h; Green chemistry;
Stage #2: piperidine In dimethyl sulfoxide at 10℃; for 10h; Green chemistry;
97%
With ammonium iodide In acetonitrile at 20℃; Electrolysis;70%
6285-05-8

4'-chloropropiophenone

56472-72-1

1-(4-chlorophenyl)-2-(hydroxyimino)propan-1-one

Conditions
ConditionsYield
With chloro-trimethyl-silane; isopentyl nitrite In dichloromethane at -20℃;96%
With n-Butyl nitrite In Petroleum ether for 5h;96.9%
With chloro-trimethyl-silane; tert.-butylnitrite In tetrahydrofuran; dichloromethane at -20 - 20℃; Inert atmosphere;81%
6285-05-8

4'-chloropropiophenone

105-36-2

ethyl bromoacetate

21134-02-1

3-(4-Chloro-phenyl)-3-hydroxy-pentanoic acid ethyl ester

Conditions
ConditionsYield
With zinc In diethyl ether; benzene for 5h; Heating;96.9%
With zinc In diethyl ether; benzene for 3h; Heating;88%
With zinc In toluene; benzene Heating;
6285-05-8

4'-chloropropiophenone

149-73-5

trimethyl orthoformate

50415-70-8

methyl 2-(p-chlorophenyl)propionate

Conditions
ConditionsYield
With sulfuric acid; 3-[4-(diacetoxyiodo)phenoxy]-1-propyl-N,N,N-trimethylammonium 4-methylbenzenesulfonate at 60℃; for 5h; Inert atmosphere;96%
With iodine; lithium perchlorate Ambient temperature; anodic oxidation at constant current;88%
6285-05-8

4'-chloropropiophenone

726-42-1

di-p-tolylcarbodiimide

2447-95-2

4-chloro-N-(4-tolyl)benzamide

Conditions
ConditionsYield
With [{HMn(CO)4}3] In 1,4-dioxane at 135℃; for 24h; Sealed tube; Inert atmosphere;96%
67-56-1

methanol

6285-05-8

4'-chloropropiophenone

6230-73-5

1-(4-chlorophenyl)-2-methylidenepropan-1-one

Conditions
ConditionsYield
With potassium carbonate; triphenylphosphine at 20℃; for 4h; Irradiation; Green chemistry;96%
67-56-1

methanol

6285-05-8

4'-chloropropiophenone

18713-58-1

1-(4-chlorophenyl)-2-methylpropan-1-one

Conditions
ConditionsYield
With C34H27IrN2P(1+)*C32H12BF24(1-); caesium carbonate at 65℃; for 24h; Inert atmosphere;95%
With trimethylamine-N-oxide; tricarbonyl(η4-1,3-bis(trimethylsilyl)-4,5,6,7-tetrahydro-2H-inden-2-one)iron; potassium carbonate at 80℃; for 24h;91%
With C21H17ClN5ORu(1+)*Cl(1-); potassium tert-butylate at 85℃; for 24h; Inert atmosphere; Schlenk technique; Glovebox; Sealed tube;90%
288-13-1

NH-pyrazole

6285-05-8

4'-chloropropiophenone

67-68-5

dimethyl sulfoxide

1-(4-chlorophenyl)-2-methyl-3-(1H-pyrazol-1-yl)propan-1-one

Conditions
ConditionsYield
With Selectfluor at 120℃; Mannich Aminomethylation; Sealed tube;95%
6285-05-8

4'-chloropropiophenone

19012-03-4

N-methyl-3-formylindole

98-86-2

acetophenone

(3-benzoyl-9-methyl-9H-carbazol-1-yl)(4-chlorophenyl)methanone

Conditions
ConditionsYield
Stage #1: N-methyl-3-formylindole; acetophenone With sodium hydroxide In ethanol at 25℃;
Stage #2: 4'-chloropropiophenone With [2,2]bipyridinyl; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; copper(II) choride dihydrate; acetic acid In chlorobenzene at 120℃; for 16h;
95%
6285-05-8

4'-chloropropiophenone

1-(4-chlorophenyl)-2-(hydroxyamino)propan-1-one

Conditions
ConditionsYield
Stage #1: 4'-chloropropiophenone With lithium hexamethyldisilazane In tetrahydrofuran at 0℃; under 3750.38 Torr; for 0.0166667h; Flow reactor; Inert atmosphere; Green chemistry;
Stage #2: With 1-chloro-1-nitrosocyclopentane In tetrahydrofuran; tert-butyl methyl ether at 0℃; under 3750.38 Torr; for 0.0166667h; Flow reactor; Inert atmosphere; Green chemistry;
Stage #3: With hydrogenchloride In tetrahydrofuran; tert-butyl methyl ether; water at 60℃; under 3750.38 Torr; for 0.0166667h; Flow reactor; Inert atmosphere; Green chemistry;
95%
6285-05-8

4'-chloropropiophenone

1-(4-chlorophenyl)-2-iodopropan-1-one

Conditions
ConditionsYield
With [hydroxy(tosyloxy)iodo]benzene; iodine; 1-butyl-3-methylimidazolium Tetrafluoroborate at 60℃; Ionic liquid;94%
With N-iodo-succinimide; toluene-4-sulfonic acid Microwave irradiation;83%
6285-05-8

4'-chloropropiophenone

126918-29-4, 877-38-3

2-chloro-1-(4-chlorophenyl)propan-1-one

Conditions
ConditionsYield
With N-chloro-succinimide; urea-hydrogen peroxide; 1-butyl-3-methylimidazolium Tetrafluoroborate at 60℃;94%
With Aluminum(III) chloride hexahydrate; urea-hydrogen peroxide; 1-butyl-3-methylimidazolium Tetrafluoroborate at 60℃; for 9h;80%
4466-24-4

2-Butylfuran

6285-05-8

4'-chloropropiophenone

1253967-16-6

2-n-butyl-5-(4-propionylphenyl)furan

Conditions
ConditionsYield
With 1,1'-bis(dicyclohexylphosphanyl)-3,3'-di(triphenylmethyl)ferrocene; tetrabutylammomium bromide; potassium acetate; palladium diacetate In N,N-dimethyl acetamide at 150℃; for 16h; Inert atmosphere;94%
With 1,1',2-tris(diphenylphosphino)-3',4-di-tert-butyl ferrocene; tetrabutylammomium bromide; potassium acetate; palladium diacetate In N,N-dimethyl acetamide at 150℃; for 16h; Inert atmosphere;84%
6285-05-8

4'-chloropropiophenone

1357293-57-2

2-(2-fluorophenoxy)-5-methylpyridine

1357293-26-5

1-{3'-fluoro-2'-[(5-methylpyridin-2-yl)oxy]-[1,1'-biphenyl]-4-yl}propan-1-one

Conditions
ConditionsYield
With (p-cymene)ruthenium(II) chloride; mesitylenecarboxylic acid; potassium carbonate In toluene at 120℃; for 20h; Inert atmosphere;94%
67-56-1

methanol

6285-05-8

4'-chloropropiophenone

90919-32-7

α-methoxy-p-chloropropiophenone

Conditions
ConditionsYield
With p-nitrobenzenesulfonic acid; 3-chloro-benzenecarboperoxoic acid; sodium iodide In acetonitrile at 80℃; for 24h; Inert atmosphere; Schlenk technique;94%

4'-Chloropropiophenone Consensus Reports

Reported in EPA TSCA Inventory.

4'-Chloropropiophenone Specification

The p-Chloropropiophenone with CAS registry number of 6285-05-8 belongs to the classes of Acetophenone Series; Aromatic Propiophenones (substituted); Ketones; Adehydes, Acetals & Ketones; Chlorine Compounds; Carbonyl Compounds. Its EINECS registry number is 228-511-6. This chemical is also known as 1-(4-Chlorophenyl)-1-propanone. Its IUPAC name and systematic name are the same which is called 1-(4-chlorophenyl)propan-1-one.

Physical properties about this chemical are: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 91.16; (6)ACD/BCF (pH 7.4): 91.16; (7)ACD/KOC (pH 5.5): 879.94; (8)ACD/KOC (pH 7.4): 879.94; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 45.8 cm3; (15)Molar Volume: 149.4 cm3; (16)Surface Tension: 36.8 dyne/cm; (17)Density: 1.128 g/cm3; (18)Flash Point: 123.5 °C; (19)Enthalpy of Vaporization: 51.52 kJ/mol; (20)Boiling Point: 276.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00475 mmHg at 25°C; (22)Refractive index: 1.5325-1.5345.

Preparation: this chemical can be prepared by 1-(4-chloro-phenyl)-2-nitro-propan-1-one. This reaction will need reagent Bu3SnH, catalyst AIBN and solvent benzene. The reaction time is 90 min with reaction temperature of 80 °C. The yield is about 78%.

4--Chloropropiophenone can be prepared by 1-(4-chloro-phenyl)-2-nitro-propan-1-one

Uses of p-Chloropropiophenone: it can be used to produce 2-bromo-1-(4-chloro-phenyl)-propan-1-one at temperature of 5 - 20 °C. This reaction is a kind of Bromination. It will need reagent bromine and solvent acetic acid with reaction time of 1.5 hours. The yield is about 95%.

When you are using this chemical, please be cautious about it as the following:
Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic fumes of Cl-. This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Cl)cc1)CC
(2)InChI: InChI=1/C9H9ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
(3)InChIKey: ADCYRBXQAJXJTD-UHFFFAOYAE

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04477,

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