Product Name

  • Name

    Benzonitrile, 3-ethoxy-4-methoxy-

  • EINECS
  • CAS No. 60758-86-3
  • Article Data12
  • CAS DataBase
  • Density 1.09 g/cm3
  • Solubility
  • Melting Point 70℃
  • Formula C10H11NO2
  • Boiling Point 281.9 °C at 760 mmHg
  • Molecular Weight 177.203
  • Flash Point 109.2 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 60758-86-3 (Benzonitrile, 3-ethoxy-4-methoxy-)
  • Hazard Symbols
  • Synonyms 3-Ethoxy-4-methoxybenzonitrile;3-Ethoxy-4-methoxybenzenecarbonitrile;
  • PSA 42.25000
  • LogP 1.96558

Synthetic route

3-ethoxy-4-methoxybenzaldehyde
1131-52-8

3-ethoxy-4-methoxybenzaldehyde

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

Conditions
ConditionsYield
With hydroxylamine hydrochloride In acetonitrile at 5 - 84℃; Product distribution / selectivity;95.5%
Multi-step reaction with 2 steps
1: hydroxylamine hydrochloride, sodium hydroxide / aq. ethanol; H2O / Ambient temperature
2: acetic anhydride / Heating
View Scheme
With hydroxylamine hydrochloride In acetonitrile Reflux;
With hydroxylamine hydrochloride In formic acid at 85 - 90℃; Temperature;600 g
ethyl bromide
74-96-4

ethyl bromide

2-methoxy-5-cyanophenol
52805-46-6

2-methoxy-5-cyanophenol

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 8h;94%
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 8h; Solvent; Concentration; Temperature; Industrial scale;94%
Stage #1: 2-methoxy-5-cyanophenol With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.583333h;
Stage #2: ethyl bromide In N,N-dimethyl-formamide at 0 - 20℃;
With potassium carbonate In acetone Reflux;
3-ethoxy-4-hydroxybenzonitrile
60758-79-4

3-ethoxy-4-hydroxybenzonitrile

methyl iodide
74-88-4

methyl iodide

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

Conditions
ConditionsYield
With potassium carbonate In acetone for 4h; Reflux;89.3%
1-methyl-4-nitrosobenzene
623-11-0

1-methyl-4-nitrosobenzene

(+/-)-3-ethoxy-2'-chloro-4-methoxy-benzoin-seqtrans-oxime

(+/-)-3-ethoxy-2'-chloro-4-methoxy-benzoin-seqtrans-oxime

benzenesulfonyl chloride
98-09-9

benzenesulfonyl chloride

A

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

B

2-chloro-benzaldehyde
89-98-5

2-chloro-benzaldehyde

...Expand
3-ethoxy-4-methoxybenzaldoxime
1956-36-1

3-ethoxy-4-methoxybenzaldoxime

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

Conditions
ConditionsYield
With acetic anhydride Heating;
4-methoxy-3-ethoxy-benzaldehyde-oxime

4-methoxy-3-ethoxy-benzaldehyde-oxime

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

Conditions
ConditionsYield
With acetic anhydride
3-ethoxy-4-methoxy-benzoic acid amide
247569-89-7

3-ethoxy-4-methoxy-benzoic acid amide

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

Conditions
ConditionsYield
With trichlorophosphate In pyridine
4-ethoxy-3-methoxy-benzoic acid amide
247569-93-3

4-ethoxy-3-methoxy-benzoic acid amide

A

4-ethoxy-3-methoxybenzonitrile
81259-56-5

4-ethoxy-3-methoxybenzonitrile

B

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

3-methoxy-4-(2-methoxyethoxy)benzamide
247569-95-5

3-methoxy-4-(2-methoxyethoxy)benzamide

A

3-methoxy-4-(2-methoxyethoxy)benzonitrile
247569-96-6

3-methoxy-4-(2-methoxyethoxy)benzonitrile

B

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

3-benzyloxy-4-methoxybenzamide
247570-05-4

3-benzyloxy-4-methoxybenzamide

A

3-benzyloxy-4-methoxybenzonitrile
52805-37-5

3-benzyloxy-4-methoxybenzonitrile

B

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

isovanillin
621-59-0

isovanillin

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: formic acid; hydroxylamine hydrochloride; sodium formate / 3 h / 125 °C
2: potassium carbonate / N,N-dimethyl-formamide
View Scheme
Multi-step reaction with 2 steps
1: sodium formate; hydroxylamine hydrochloride / formic acid / 5 h / 85 °C
2: potassium carbonate / N,N-dimethyl-formamide / 8 h / 100 °C
View Scheme
Multi-step reaction with 2 steps
1: formic acid; sodium formate; hydroxylamine hydrochloride / 5 h / 85 °C / Industrial scale
2: potassium carbonate / N,N-dimethyl-formamide / 8 h / 100 °C / Industrial scale
View Scheme
2-methoxy-5-cyanophenol
52805-46-6

2-methoxy-5-cyanophenol

ethyl halide

ethyl halide

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide
4-hydroxy-3-ethoxybenzaldehyde
121-32-4

4-hydroxy-3-ethoxybenzaldehyde

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydroxylamine hydrochloride / acetonitrile / 4 h / Reflux
2: potassium carbonate / acetone / 4 h / Reflux
View Scheme
ethyl 3-methoxy-4-(2-methoxyethoxy)benzoate
196194-41-9

ethyl 3-methoxy-4-(2-methoxyethoxy)benzoate

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

4-hydroxy-3-methoxybenzoic acid methyl ester
3943-74-6

4-hydroxy-3-methoxybenzoic acid methyl ester

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

3-methoxy-4-(2-methoxyethoxy)benzoic acid
247569-94-4

3-methoxy-4-(2-methoxyethoxy)benzoic acid

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

ethyl 4-cyclobutylmethoxy-3-methoxybenzoate
247569-98-8

ethyl 4-cyclobutylmethoxy-3-methoxybenzoate

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

Conditions
ConditionsYield
Multi-step reaction with 3 steps
2: N-methyl-acetamide; dichloromethane
3: trichlorophosphate / pyridine
View Scheme
3-hydroxy-4-methoxybenzoate
6702-50-7

3-hydroxy-4-methoxybenzoate

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: potassium carbonate / N-methyl-acetamide
2: methanol
3: N-methyl-acetamide; dichloromethane
4: trichlorophosphate / pyridine
View Scheme
ethyl vanillate
617-05-0

ethyl vanillate

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

Conditions
ConditionsYield
Multi-step reaction with 4 steps
2: methanol
3: N-methyl-acetamide; dichloromethane
4: trichlorophosphate / pyridine
View Scheme
4-ethoxy-3-methoxybenzoic acid
3535-30-6

4-ethoxy-3-methoxybenzoic acid

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

3-methoxy-4-hydroxybenzoic acid
121-34-6

3-methoxy-4-hydroxybenzoic acid

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

Isovanillic acid
645-08-9

Isovanillic acid

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: sulfuric acid / methanol
2: potassium carbonate / N-methyl-acetamide
3: methanol
4: N-methyl-acetamide; dichloromethane
5: trichlorophosphate / pyridine
View Scheme
3-ethoxy-4-methoxybenzoic acid
2651-55-0

3-ethoxy-4-methoxybenzoic acid

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: N-methyl-acetamide; dichloromethane
2: trichlorophosphate / pyridine
View Scheme
methyl 3-(benzyloxy)-4-methoxy-benzoate
57535-57-6

methyl 3-(benzyloxy)-4-methoxy-benzoate

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

Conditions
ConditionsYield
Multi-step reaction with 3 steps
2: N-methyl-acetamide; dichloromethane
3: trichlorophosphate / pyridine
View Scheme
4-ethoxy-3-methoxybenzoic acid methyl ester
3535-24-8

4-ethoxy-3-methoxybenzoic acid methyl ester

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

3-ethoxy-4-methoxybenzoic acid methyl ester
97966-31-9

3-ethoxy-4-methoxybenzoic acid methyl ester

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: methanol
2: N-methyl-acetamide; dichloromethane
3: trichlorophosphate / pyridine
View Scheme
dimethylsulfone
67-71-0

dimethylsulfone

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethen-1-amine
1450657-31-4

1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethen-1-amine

Conditions
ConditionsYield
Stage #1: dimethylsulfone With n-butyllithium In tetrahydrofuran; hexane at -5 - 0℃; for 2h;
Stage #2: 3-ethoxy-4-methoxybenzenecarbonitrile In tetrahydrofuran; hexane at -5 - 30℃;		96%
Stage #1: dimethylsulfone With n-butyllithium In tetrahydrofuran; hexane at 0 - 5℃; for 1h;
Stage #2: 3-ethoxy-4-methoxybenzenecarbonitrile In tetrahydrofuran; hexane at 0 - 30℃; for 2h;		83%
Stage #1: dimethylsulfone With n-butyllithium In tetrahydrofuran; hexane at 0 - 5℃; for 1h;
Stage #2: 3-ethoxy-4-methoxybenzenecarbonitrile In tetrahydrofuran; hexane at 0 - 30℃; for 2h;		83%
Stage #1: dimethylsulfone With sodium amide In tetrahydrofuran; dimethyl sulfoxide at 40℃;
Stage #2: 3-ethoxy-4-methoxybenzenecarbonitrile In tetrahydrofuran; dimethyl sulfoxide at 20℃; for 3.5h; Reagent/catalyst; Solvent; Temperature;		83%
dimethylsulfone
67-71-0

dimethylsulfone

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethan-1-one
1450657-28-9

1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethan-1-one

Conditions
ConditionsYield
Stage #1: dimethylsulfone With n-butyllithium In tetrahydrofuran; hexane Large scale;
Stage #2: 3-ethoxy-4-methoxybenzenecarbonitrile In tetrahydrofuran; hexane at 0 - 5℃; Large scale;
Stage #3: With hydrogenchloride; water In tetrahydrofuran; hexane Large scale;		93%
Stage #1: dimethylsulfone With n-butyllithium In tetrahydrofuran; hexane at 0℃; for 1h; Inert atmosphere;
Stage #2: 3-ethoxy-4-methoxybenzenecarbonitrile In tetrahydrofuran; hexane at 0 - 20℃; for 13h; Inert atmosphere;		85%
Stage #1: dimethylsulfone With n-butyllithium In tetrahydrofuran; hexane at 0 - 10℃; for 3h; Inert atmosphere;
Stage #2: 3-ethoxy-4-methoxybenzenecarbonitrile In tetrahydrofuran at 0 - 20℃; for 6h;		81%
Stage #1: dimethylsulfone With n-butyllithium In tetrahydrofuran; hexane at 0 - 10℃; for 3h; Inert atmosphere; Industrial scale;
Stage #2: 3-ethoxy-4-methoxybenzenecarbonitrile In tetrahydrofuran at 0 - 20℃; for 6h; Solvent; Concentration; Industrial scale;		81%
3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

dimethyl sulfoxide
67-68-5

dimethyl sulfoxide

(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfinyl)ethylamine

(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfinyl)ethylamine

Conditions
ConditionsYield
Stage #1: dimethyl sulfoxide With n-butyllithium In tetrahydrofuran; hexane at 0 - 5℃; for 1.5h;
Stage #2: 3-ethoxy-4-methoxybenzenecarbonitrile With tri-n-butylstannyl chloride In tetrahydrofuran at 15 - 20℃; for 2.5h;		85.2%
Stage #1: dimethyl sulfoxide With n-butyllithium In tetrahydrofuran; hexane at 0 - 5℃; for 1.5h;
Stage #2: 3-ethoxy-4-methoxybenzenecarbonitrile With tributyltin chloride In tetrahydrofuran; hexane; water at 15 - 20℃; for 14.5h; Time;		109.6 g
dimethylsulfone
67-71-0

dimethylsulfone

3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

2-(3-ethoxy-4-methoxyphenyl)-1-(methylsulfonyl)eth-2-ylamine
253168-94-4

2-(3-ethoxy-4-methoxyphenyl)-1-(methylsulfonyl)eth-2-ylamine

Conditions
ConditionsYield
Stage #1: dimethylsulfone With n-butyllithium In tetrahydrofuran; hexane at 0 - 5℃;
Stage #2: 3-ethoxy-4-methoxybenzenecarbonitrile In tetrahydrofuran; hexane at 0 - 20℃; Product distribution / selectivity; Inert atmosphere;		76.1%
Stage #1: dimethylsulfone With potassium hexamethylsilazane In tetrahydrofuran at 0 - 10℃; for 1h; Large scale;
Stage #2: 3-ethoxy-4-methoxybenzenecarbonitrile In tetrahydrofuran for 0.5h; Large scale;
Stage #3: With sodium tetrahydroborate; acetic acid In tetrahydrofuran at 0 - 62℃; Temperature; Large scale;		65%
Stage #1: dimethylsulfone With potassium tert-butylate In dimethyl sulfoxide at 30℃; for 3h;
Stage #2: 3-ethoxy-4-methoxybenzenecarbonitrile In tetrahydrofuran; dimethyl sulfoxide for 3.5h;
Stage #3: With sodium tetrahydroborate In tetrahydrofuran; dimethyl sulfoxide at 30℃; for 1h;		50%
Stage #1: dimethylsulfone With n-butyllithium In tetrahydrofuran at 0 - 5℃; for 1.5h;
Stage #2: 3-ethoxy-4-methoxybenzenecarbonitrile In tetrahydrofuran at 0 - 30℃; for 1.5h; Further stages;
3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

3-ethoxy-4-methoxythiobenzamide
60758-99-8

3-ethoxy-4-methoxythiobenzamide

Conditions
ConditionsYield
With pyridine; hydrogen sulfide; triethylamine Ambient temperature;
With hydrogenchloride; thioacetamide In N,N-dimethyl-formamide at 100℃; for 2h;
3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

6-[2-(3-Ethoxy-4-methoxy-phenyl)-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one

6-[2-(3-Ethoxy-4-methoxy-phenyl)-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: aq. HCl, thioacetamide / dimethylformamide / 2 h / 100 °C
2: ethanol / 2 h / Heating
View Scheme
3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

2-(3-ethoxy-4-methoxyphenyl)-4-(2'-pyrazinyl)thiazole
115540-95-9

2-(3-ethoxy-4-methoxyphenyl)-4-(2'-pyrazinyl)thiazole

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrogen sulphide gas, triethylamine, pyridine / Ambient temperature
2: ethanol / Heating
View Scheme
3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

2-(3-ethoxy-4-methoxyphenyl)-4-(5'-nitro-2'-furyl)thiazole
115541-17-8

2-(3-ethoxy-4-methoxyphenyl)-4-(5'-nitro-2'-furyl)thiazole

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrogen sulphide gas, triethylamine, pyridine / Ambient temperature
2: ethanol / Heating
View Scheme
3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

3-ethoxy-4-methoxybenzylamine
108439-67-4

3-ethoxy-4-methoxybenzylamine

Conditions
ConditionsYield
In tetrahydrofuran; ethyl acetate
3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

3-(3-ethoxy-4-methoxyphenyl)-5-(piperidin-4-yl)-1,2,4-oxadiazole
1312793-92-2

3-(3-ethoxy-4-methoxyphenyl)-5-(piperidin-4-yl)-1,2,4-oxadiazole

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: hydroxylamine hydrochloride; sodium carbonate / ethanol; water / 18 h / 0 °C / Reflux
2.1: dicyclohexyl-carbodiimide / N,N-dimethyl-formamide / 1 h / 0 °C / Inert atmosphere
2.2: 3.5 h / 0 - 30 °C / Inert atmosphere
3.1: N,N-dimethyl-formamide / 10 h / 110 °C / Inert atmosphere
4.1: trifluoroacetic acid / dichloromethane / 6 h / 0 - 25 °C
View Scheme
Multi-step reaction with 3 steps
1.1: hydroxylamine hydrochloride; sodium hydroxide / ethanol; water / 18 h / 0 °C / Reflux
2.1: dicyclohexyl-carbodiimide / N,N-dimethyl-formamide / 1 h / 0 °C / Inert atmosphere
2.2: 13.5 h / 0 - 110 °C / Inert atmosphere
3.1: trifluoroacetic acid / dichloromethane / 3 h / 25 °C
View Scheme
3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

C10H14N2O3
885957-47-1

C10H14N2O3

Conditions
ConditionsYield
With hydroxylamine hydrochloride; sodium carbonate In ethanol; water at 0℃; for 18h; Reflux;
With hydroxylamine hydrochloride; sodium hydroxide In ethanol; water at 0℃; for 18h; Reflux;
3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

tert-butyl 4-(3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
1312793-85-3

tert-butyl 4-(3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: hydroxylamine hydrochloride; sodium carbonate / ethanol; water / 18 h / 0 °C / Reflux
2.1: dicyclohexyl-carbodiimide / N,N-dimethyl-formamide / 1 h / 0 °C / Inert atmosphere
2.2: 3.5 h / 0 - 30 °C / Inert atmosphere
3.1: N,N-dimethyl-formamide / 10 h / 110 °C / Inert atmosphere
View Scheme
Multi-step reaction with 2 steps
1.1: hydroxylamine hydrochloride; sodium hydroxide / ethanol; water / 18 h / 0 °C / Reflux
2.1: dicyclohexyl-carbodiimide / N,N-dimethyl-formamide / 1 h / 0 °C / Inert atmosphere
2.2: 13.5 h / 0 - 110 °C / Inert atmosphere
View Scheme
3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

C21H31N3O6

C21H31N3O6

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: hydroxylamine hydrochloride; sodium carbonate / ethanol; water / 18 h / 0 °C / Reflux
2.1: dicyclohexyl-carbodiimide / N,N-dimethyl-formamide / 1 h / 0 °C / Inert atmosphere
2.2: 3.5 h / 0 - 30 °C / Inert atmosphere
View Scheme
3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

(R)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)-ethylamine
608142-27-4

(R)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)-ethylamine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: n-butyllithium / tetrahydrofuran; hexane / 1 h / 0 - 5 °C
1.2: 2 h / 0 - 30 °C
2.1: bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate; hydrogen; (2R)-1-[(1R)-1-[bis(1,1-dimethylethyl)phosphino]ethyl]-2-(diphenylphosphino)ferrocene / 2,2,2-trifluoroethanol / 18 h / 50 °C / 5414.51 Torr / Inert atmosphere
View Scheme
3-ethoxy-4-methoxybenzenecarbonitrile
60758-86-3

3-ethoxy-4-methoxybenzenecarbonitrile

(S)-2-[1 (3-ethoxy-4-methoxyphenyl)]-1-methanesulfonyl-2-ethylamine
608141-42-0

(S)-2-[1 (3-ethoxy-4-methoxyphenyl)]-1-methanesulfonyl-2-ethylamine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: n-butyllithium / hexane; tetrahydrofuran / Large scale
1.2: 0 - 5 °C / Large scale
1.3: Large scale
2.1: toluene-4-sulfonic acid / toluene / Dean-Stark; Large scale
2.2: Large scale
2.3: Large scale
3.1: hydrogen; 5%-palladium/activated carbon / methanol / 20 °C / Large scale
View Scheme
Multi-step reaction with 2 steps
1.1: n-butyllithium / tetrahydrofuran; hexane / 1 h / 0 - 5 °C
1.2: 2 h / 0 - 30 °C
2.1: bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate; (2S)-1-[(1S)-1-[bis(1,1-dimethylethyl)phosphino]ethyl]-2-(diphenylphosphino)ferrocene; hydrogen / 2,2,2-trifluoroethanol / 18 h / 50 °C / 13689.1 Torr / Inert atmosphere
View Scheme
Multi-step reaction with 2 steps
1.1: n-butyllithium / hexane; tetrahydrofuran / 1 h / 0 - 5 °C
1.2: 2 h / 0 - 30 °C
2.1: bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate; hydrogen; (R)-(-)-1-[(S)-2-(diphenylphosphino)ferrocenyl]ethyldi-tert-butylphosphine / 2,2,2-trifluoroethanol / 18 h / 50 °C / 4654.46 Torr / Inert atmosphere
View Scheme

Benzonitrile, 3-ethoxy-4-methoxy- Specification

The Benzonitrile, 3-ethoxy-4-methoxy- with CAS registry number of 60758-86-3 is also known as 3-Ethoxy-4-methoxybenzenecarbonitrile. The systematic name is 3-Ethoxy-4-methoxybenzonitrile. In addition, the formula is C10H11NO2 and the molecular weight is 177.20.

Physical properties about Benzonitrile, 3-ethoxy-4-methoxy- are: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 2.1; (5)ACD/BCF (pH 5.5): 23.32; (6)ACD/BCF (pH 7.4): 23.32; (7)ACD/KOC (pH 5.5): 331.6; (8)ACD/KOC (pH 7.4): 331.6; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.25Å2; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 48.68 cm3; (15)Molar Volume: 161.3 cm3; (16)Polarizability: 19.29×10-24cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.09 g/cm3; (19)Flash Point: 109.2 °C; (20)Enthalpy of Vaporization: 52.07 kJ/mol; (21)Boiling Point: 281.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00346 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: N#Cc1cc(OCC)c(OC)cc1
2. InChI: InChI=1/C10H11NO2/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-6H,3H2,1-2H3
3. InChIKey: XTIINWPNAMHVDG-UHFFFAOYAF
4. Std. InChI: InChI=1S/C10H11NO2/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-6H,3H2,1-2H3
5. Std. InChIKey: XTIINWPNAMHVDG-UHFFFAOYSA-N

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