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58113-30-7

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Basic Information
CAS No.: 58113-30-7
Name: 4-(3-chloropropoxy)-3-methoxyacetophenone
Article Data: 58
Molecular Structure:
Molecular Structure of 58113-30-7 (4-(3-chloropropoxy)-3-methoxyacetophenone)
Formula: C12H15ClO3
Molecular Weight: 242.702
Synonyms: 1-[4-(3-Chloropropoxy)-3-methoxyphenyl]ethanone;3-(4-Acetyl-2-methoxyphenoxy)propyl chloride;4-(3-Chloropropoxy)-3-Methoxyacetophenone;
EINECS: 611-628-5
Density: 1.137 g/cm3
Boiling Point: 367 °C at 760 mmHg
Flash Point: 149.8 °C
Appearance: White solid
PSA: 35.53000
LogP: 2.90550
Related products
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
In acetone
...Expand
151719-92-5

3-methoxy-4-(3-chloropropoxy) benzaldehyde

58113-30-7

4-(3-chloropropoxy)-3-methoxyacetophenone

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With tetrabutylammomium bromide; potassium carbonate In acetonitrile at 80℃; Industry scale;
...Expand
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    58113-30-7

    3-(4-Acetyl-2-methoxyphenoxy)propyl chloride

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Chemistry

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

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 .