1-[4-(3-Chloropropoxy)-3-methoxyphenyl]ethanone supplier

Name
4-(3-chloropropoxy)-3-methoxyacetophenone
EINECS 611-628-5
CAS No. 58113-30-7
Article Data58
CAS DataBase
Density 1.137 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅ClO₃
Boiling Point 367 °C at 760 mmHg
Molecular Weight 242.702
Flash Point 149.8 °C
Transport Information
Appearance White solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-[4-(3-Chloropropoxy)-3-methoxyphenyl]ethanone;3-(4-Acetyl-2-methoxyphenoxy)propyl chloride;4-(3-Chloropropoxy)-3-Methoxyacetophenone;
PSA 35.53000
LogP 2.90550

Synthetic route

: 109-70-6
1,3-chlorobromopropane

: 498-02-2
1-(3-methoxy-4-hydroxyphenyl)ethanone

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 20 - 80℃; for 3h;	95%
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 10h;	93.8%
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 10h;	93.8%

: 109-70-6
1,3-chlorobromopropane

: 498-02-2
1-(3-methoxy-4-hydroxyphenyl)ethanone

A: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

B: 19417-90-4
1,1'-(4,4'-(propane-1,3-diylbis(oxy))bis(3-methoxy-4,1-phenylene))diethanone

Conditions

Conditions	Yield
With potassium carbonate In acetone for 20h; Reflux;	A 85% B 7%

...Expand

: 1308246-54-9
1-(4-(3-chloropropoxy)-3-methoxyphenyl)ethanol

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

Conditions

Conditions	Yield
With pyridine; chromium(VI) oxide In dichloromethane; toluene at 30℃; Product distribution / selectivity;	82%
With potassium dichromate; sulfuric acid In diethyl ether; water at 10 - 20℃; for 2h; Product distribution / selectivity;

: 917-64-6
methyl magnesium iodide

: 210918-52-8
4-(3-chloropropoxy)-3-methoxybenzonitrile

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

Conditions

Conditions	Yield
Stage #1: methyl magnesium iodide; 4-(3-chloropropoxy)-3-methoxybenzonitrile With copper(l) chloride In diethyl ether; toluene for 1h; Inert atmosphere; Reflux; Stage #2: With sulfuric acid; water In toluene at 25℃; for 2.25h; Product distribution / selectivity; Reflux;	77.5%

: 210918-52-8
4-(3-chloropropoxy)-3-methoxybenzonitrile

: 74-88-4
methyl iodide

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

Conditions

Conditions	Yield
Stage #1: methyl iodide With magnesium In diethyl ether for 0.5h; Reflux; Stage #2: 4-(3-chloropropoxy)-3-methoxybenzonitrile In toluene for 3h; Reflux; Stage #3: With hydrogenchloride; water at 0℃; for 6h; Reflux;	75%

: 584-08-7
potassium carbonate

: 109-70-6
1,3-chlorobromopropane

: 498-02-2
1-(3-methoxy-4-hydroxyphenyl)ethanone

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

Conditions

Conditions	Yield
In acetone

...Expand

: 151719-92-5
3-methoxy-4-(3-chloropropoxy) benzaldehyde

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: magnesium / diethyl ether / 1 h / Reflux 1.2: 6 h / 0 °C / Reflux 1.3: Cooling with ice 2.1: potassium dichromate; sulfuric acid / diethyl ether; water / 2 h / 10 - 20 °C View Scheme
Multi-step reaction with 2 steps 1.1: hydroxylamine hydrochloride; sodium formate; formic acid / 1 h / Reflux 2.1: magnesium / diethyl ether / 0.5 h / Reflux 2.2: 3 h / Reflux 2.3: 6 h / 0 °C / Reflux View Scheme
Multi-step reaction with 2 steps 1.1: hydroxylamine hydrochloride; sodium formate; formic acid / 1 h / Reflux 2.1: copper(l) chloride / toluene; diethyl ether / 1 h / Inert atmosphere; Reflux 2.2: 2.25 h / 25 °C / Reflux View Scheme

: 121-33-5
vanillin

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: potassium carbonate / acetone / Reflux 2.1: magnesium / diethyl ether / 1 h / Reflux 2.2: 6 h / 0 °C / Reflux 2.3: Cooling with ice 3.1: potassium dichromate; sulfuric acid / diethyl ether; water / 2 h / 10 - 20 °C View Scheme

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: potassium carbonate / acetone / 0.08 h / 25 - 30 °C 1.2: 12.5 h / 25 - 30 °C / Reflux 2.1: magnesium / diethyl ether / 0.5 h / Reflux 2.2: 3 h / Reflux 2.3: 6 h / 0 °C / Reflux View Scheme
Multi-step reaction with 2 steps 1.1: potassium carbonate / acetone / 0.08 h / 25 - 30 °C 1.2: 12.5 h / 25 - 30 °C / Reflux 2.1: copper(l) chloride / toluene; diethyl ether / 1 h / Inert atmosphere; Reflux 2.2: 2.25 h / 25 °C / Reflux View Scheme

: 109-70-6
1,3-chlorobromopropane

: 498-02-2
1-(3-methoxy-4-hydroxyphenyl)ethanone

A: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

B: 3245-49-6
1-(4-(3-bromopropoxy)-3-methoxyphenyl)ethanone

Conditions

Conditions	Yield
With tetrabutylammomium bromide; potassium carbonate In acetonitrile at 80℃; Industry scale;

...Expand

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 84163-13-3
6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole hydrochloride

: 133454-47-4
iloperidone

Conditions

Conditions	Yield
Stage #1: 6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole hydrochloride With sodium hydroxide In water at 25 - 30℃; for 0.25h; Industrial scale; Green chemistry; Stage #2: 4-(3-chloropropoxy)-3-methoxyacetophenone In water at 25 - 30℃; for 0.25h; Industrial scale; Green chemistry; Stage #3: With tetrabutylammomium bromide In n-heptane; water at 65 - 70℃; Reagent/catalyst; Solvent; Temperature; Concentration; Time; Industrial scale; Green chemistry;	95%
With sodium hydrogencarbonate In toluene; acetonitrile at 76℃; for 6h; Temperature;	90.5%
With potassium carbonate In N,N-dimethyl-formamide at 90℃; for 16h;

: 335079-99-7
6-fluoro-2-(piperidin-4-yl)-1,3-benzoxazole

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: iloperidone

Conditions

Conditions	Yield
With triethylamine In water at 60 - 65℃; for 14h;	95%

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 1160707-44-7
1-(4-(3-chloropropoxy)-5-methoxy-2-nitrophenyl)ethan-1-one

Conditions

Conditions	Yield
With nitric acid In dichloromethane at -20 - -10℃; for 2h;	89%
With nitric acid In dichloromethane at -20 - -10℃; for 2h;	89%
With nitric acid In dichloromethane at -20 - -10℃; for 2h;	89%

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 1-(4-(3-chloropropoxy)-5-methoxy-2-nitro)acetophenone

Conditions

Conditions	Yield
With nitric acid In dichloromethane at -20 - -10℃; for 3h;	89%

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 84163-13-3
6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole hydrochloride

: iloperidone

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In ethyl acetate; N,N-dimethyl-formamide at 80℃; for 50h; Inert atmosphere;	84.65%

: 771-99-3
4-phenylpiperidine

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 117022-90-9
1-{3-Methoxy-4-[3-(4-phenyl-piperidin-1-yl)-propoxy]-phenyl}-ethanone; hydrochloride

Conditions

Conditions	Yield
With sodium carbonate; potassium iodide In butan-1-ol Heating;	82%

: 2759-28-6
1-phenylmethylpiperazine

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 110-16-7
maleic acid

: 117022-96-5
1-{4-[3-(4-Benzyl-piperazin-1-yl)-propoxy]-3-methoxy-phenyl}-ethanone; compound with (Z)-but-2-enedioic acid

Conditions

Conditions	Yield
With sodium carbonate; potassium iodide 1) n-butanol, reflux;	80%

...Expand

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 117022-82-9
α-<3-(ethylamino)propyl>-4-fluoro-α-(4-fluorophenyl)benzenemethanol

: 117023-21-9
1-[4-(3-{[4,4-Bis-(4-fluoro-phenyl)-4-hydroxy-butyl]-ethyl-amino}-propoxy)-3-methoxy-phenyl]-ethanone

Conditions

Conditions	Yield
With sodium carbonate; potassium iodide In butan-1-ol Heating;	80%

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 117022-69-2
[α,α-bis(4-fluorophenyl)]-3-piperidinemethanol

: 117023-16-2
1-[4-[3-[3-[Bis(4-fluorophenyl)hydroxymethyl]-1-piperidinyl]propoxy]-3-methoxyphenyl]ethanone

Conditions

Conditions	Yield
With sodium carbonate; potassium iodide In butan-1-ol Heating;	78%
With potassium iodide; sodium carbonate In butan-1-ol	4.0 g (78%)

: 110-89-4
piperidine

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 110-17-8
(2E)-but-2-enedioic acid

: 117022-84-1
1-[3-Methoxy-4-(3-piperidin-1-yl-propoxy)-phenyl]-ethanone; compound with (E)-but-2-enedioic acid

Conditions

Conditions	Yield
With sodium carbonate; potassium iodide 1) n-butanol, reflux;	77%

...Expand

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 60284-98-2
1,1-bis(4-fluorophenyl)-1-(4-piperidinyl)methanol

: 60284-71-1
AHR 5333

Conditions

Conditions	Yield
With sodium carbonate; potassium iodide In butan-1-ol for 20h; Heating;	75%
With sodium hydrogencarbonate In N-methyl-acetamide; benzene

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 131912-01-1
4-[(Cyclohexyl)(4-fluorophenyl)methyl]piperidine

: 131911-58-5
1-[4-[3-[4-[Cyclohexyl(4-fluorophenyl)methyl]-1-piperidinyl]propoxy]-3-methoxyphenyl]ethanone

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In butan-1-ol Heating;	74%

: 92-54-6
4-phenyl-1-piperazine

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 117022-97-6
1-{3-Methoxy-4-[3-(4-phenyl-piperazin-1-yl)-propoxy]-phenyl}-ethanone

Conditions

Conditions	Yield
With sodium carbonate; potassium iodide In butan-1-ol Heating;	73%

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 117022-55-6
α,α-bis(3-fluorophenyl)-4-piperidinemethanol

: 117023-23-1
1-[3-(4-acetyl-2-methoxyphenoxy)propyl]-α,α-bis(3-fluorophenyl)-4-piperidinemethanol

Conditions

Conditions	Yield
With sodium carbonate; potassium iodide In butan-1-ol Heating;	71%

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 144-62-7
oxalic acid

: 117022-66-9
4-(diphenylmethoxymethyl)piperidine

: 117022-92-1
1-(3-Methoxy-4-{3-[4-(methoxy-diphenyl-methyl)-piperidin-1-yl]-propoxy}-phenyl)-ethanone; compound with oxalic acid

Conditions

Conditions	Yield
With sodium carbonate; potassium iodide 1) n-butanol, reflux;	71%

...Expand

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 131912-08-8
α,α-bis(4-fluorophenyl)-3-pyrrolidineacetonitrile

: 131950-22-6
1-[3-(4-Acetyl-2-methoxyphenoxy)propyl]-α,α-bis(4-fluorophenyl)-3-pyrrolidineacetonitrile

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In butan-1-ol Heating;	68%

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 37586-22-4
4-benzoylpiperidine

: 117022-85-2
1-{4-[3-(4-benzoyl-piperidin-1-yl)-propoxy]-3-methoxy-phenyl}-ethanone

Conditions

Conditions	Yield
With sodium carbonate; potassium iodide In butan-1-ol Heating;	66%

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 110-17-8
(2E)-but-2-enedioic acid

: 107071-83-0
α,α-bis(4-fluorophenyl)-4-piperidineethanol

: 117023-15-1
1-[4-(3-{4-[2,2-Bis-(4-fluoro-phenyl)-2-hydroxy-ethyl]-piperidin-1-yl}-propoxy)-3-methoxy-phenyl]-ethanone; compound with (E)-but-2-enedioic acid

Conditions

Conditions	Yield
With sodium carbonate; potassium iodide 1) n-butanol, reflux;	65%

...Expand

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 117022-58-9
1,2-Bis-(4-fluoro-phenyl)-1-piperidin-4-yl-ethanol

: 117023-26-4
1-[4-(3-{4-[1,2-Bis-(4-fluoro-phenyl)-1-hydroxy-ethyl]-piperidin-1-yl}-propoxy)-3-methoxy-phenyl]-ethanone

Conditions

Conditions	Yield
With sodium carbonate; potassium iodide In butan-1-ol Heating;	64%

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 38081-60-6
phenyl-piperidin-4-yl-methanol

: 117022-86-3
1-(4-{3-[4-(Hydroxy-phenyl-methyl)-piperidin-1-yl]-propoxy}-3-methoxy-phenyl)-ethanone

Conditions

Conditions	Yield
With sodium carbonate; potassium iodide In butan-1-ol Heating;	64%

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 19841-73-7
4-(Diphenylmethyl)piperidine

: 144-62-7
oxalic acid

: 60284-70-0
1-[4-[3-[4-(Diphenylmethyl)-1-piperidinyl]propoxy]-3-methoxyphenyl]ethanone oxalate

Conditions

Conditions	Yield
With sodium carbonate; potassium iodide 1) n-butanol, reflux;	64%

...Expand

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 144-62-7
oxalic acid

: 13754-38-6
N-Benzoylpiperazine

: 117022-94-3
1-{4-[3-(4-Benzoyl-piperazin-1-yl)-propoxy]-3-methoxy-phenyl}-ethanone; compound with oxalic acid

Conditions

Conditions	Yield
With sodium carbonate; potassium iodide 1) n-butanol, reflux;	63%

...Expand

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 131911-87-0
2-[(4-Fluoro-phenyl)-piperidin-4-yl-methyl]-pyridine

: 131911-41-6
1-[4-[3-[4-[(4-fluorophenyl)(2-pyridinyl)methyl]-1-piperidinyl]propoxy]-3-methoxyphenyl]ethanone

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In butan-1-ol Heating;	62%

: 31252-42-3
4-benzylpyperidine

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 110-16-7
maleic acid

: 117022-88-5
1-{4-[3-(4-Benzyl-piperidin-1-yl)-propoxy]-3-methoxy-phenyl}-ethanone; compound with (Z)-but-2-enedioic acid

Conditions

Conditions	Yield
With sodium carbonate; potassium iodide 1) n-butanol, reflux;	60%

...Expand

: 58113-30-7
4-(3-chloropropoxy)-3-methoxyacetophenone

: 131912-12-4
α,α-bis(4-fluorophenyl)-3-piperidinepropanenitrile

: 131911-61-0
1-[3-(4-acetyl-2-methoxyphenoxy)propyl]-α,α-bis(4-fluorophenyl)-3-piperidinepropanenitrile

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In butan-1-ol Heating;	60%

1-[4-(3-Chloropropoxy)-3-methoxyphenyl]ethanone Chemical Properties

Following is the structure of Ethanone,1-[4-(3-chloropropoxy)-3-methoxyphenyl]- (CAS NO.58113-30-7):

Empirical Formula: C₁₂H₁₅ClO₃
Molecular Weight: 242.6987
Index of Refraction: 1.509
Molar Refractivity: 63.75 cm³
Molar Volume: 213.3 cm³
Density: 1.137 g/cm³
Flash Point: 149.8 °C
Polarizability: 25.27 10^-24cm³
Surface Tension: 36.3 dyne/cm
Enthalpy of Vaporization: 61.35 kJ/mol
Boiling Point: 367 °C at 760 mmHg
Vapour Pressure of Ethanone,1-[4-(3-chloropropoxy)-3-methoxyphenyl]- (CAS NO.58113-30-7): 1.4E-05 mmHg at 25 °C
SMILES: O=C(c1cc(OC)c(OCCCCl)cc1)C
InChI: InChI=1/C12H15ClO3/c1-9(14)10-4-5-11(12(8-10)15-2)16-7-3-6-13/h4-5,8H,3,6-7H2,1-2H3
InChIKey: RBBVSSYQKVBALO-UHFFFAOYAO

1-[4-(3-Chloropropoxy)-3-methoxyphenyl]ethanone Specification

Ethanone,1-[4-(3-chloropropoxy)-3-methoxyphenyl]- , its cas register number 58113-30-7. It also can be called 1-[4-(3-Chloropropoxy)-3-methoxyphenyl]ethanone ; 4-(3-Chloropropoxy)-3-Methoxyacetophenone ; and 3-(4-Acetyl-2-methoxyphenoxy)propyl chloride .

Product Name

4-(3-chloropropoxy)-3-methoxyacetophenone

Synthetic route

1-[4-(3-Chloropropoxy)-3-methoxyphenyl]ethanone Chemical Properties

1-[4-(3-Chloropropoxy)-3-methoxyphenyl]ethanone Specification

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