4'-Chloropropiophenone supplier

Name
4'-Chloropropiophenone
EINECS 228-511-6
CAS No. 6285-05-8
Article Data81
CAS DataBase
Density 1.128 g/cm³
Solubility insoluble in water
Melting Point 34-37 °C
Formula C₉H₉ClO
Boiling Point 276.6 °C at 760 mmHg
Molecular Weight 168.623
Flash Point 123.5 °C
Transport Information
Appearance crystalline mass
Safety 37/39-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Propiophenone,4'-chloro- (6CI,7CI,8CI);1-(4-Chlorophenyl)-1-propanone;4-Chloropropiophenone;Ethyl p-chlorophenyl ketone;NSC5600;p-Chloropropiophenone;4'-Chloropropiophenone;
PSA 17.07000
LogP 2.93270

Synthetic route

: 1745-18-2
1-allyl-4-chlorobenzene

: 6285-05-8
4'-chloropropiophenone

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With cetyltrimethylammonium peroxodisulphate In acetonitrile for 0.366667h; Reflux;	94%

: 58824-54-7
p-chlorophenylvinylcarbinol

: 6285-05-8
4'-chloropropiophenone

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With methyloxirane In water; acetone Irradiation; pH neutral;	A 25% B 20% C 45%

...Expand

: 106-39-8
bromochlorobenzene

: 123-38-6
propionaldehyde

: 6285-05-8
4'-chloropropiophenone

Conditions

Conditions	Yield
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

Conditions	Yield
With methyloxirane In methanol Irradiation; pH neutral;	A 24% B n/a C 30%

...Expand

: 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

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

...Expand

: 627-39-4
propionaldehyde oxime

: 17333-85-6
4-chlorophenyldiazonium salt

: 6285-05-8
4'-chloropropiophenone

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
at 300℃;

: 123-62-6
propionic acid anhydride

: 108-90-7
chlorobenzene

: 6285-05-8
4'-chloropropiophenone

Conditions

Conditions	Yield
With carbon disulfide; aluminium trichloride

: 623-03-0
4-Cyanochlorobenzene

: 4736-60-1
ethyltriphenylphosphonium iodide

: 6285-05-8
4'-chloropropiophenone

Conditions

Conditions	Yield
(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

Conditions	Yield
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

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

...Expand

: 6285-05-8
4'-chloropropiophenone

: 877-37-2
2-bromo-1-(4-chlorophenyl)-1-propanone

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With Selectfluor at 120℃; Mannich Aminomethylation; Sealed tube;	95%

...Expand

: 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

Conditions	Yield
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%

...Expand

: 6285-05-8
4'-chloropropiophenone

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

Conditions

Yield

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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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,

Product Name

4'-Chloropropiophenone

Synthetic route

4'-Chloropropiophenone Consensus Reports

4'-Chloropropiophenone Specification

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