7-Methoxy-1-naphthylacetonitrile supplier

Name
7-Methoxy-1-naphthylacetonitrile
EINECS -0
CAS No. 138113-08-3
Article Data31
CAS DataBase
Density 1.135 g/cm³
Solubility
Melting Point 81-83 °C
Formula C₁₃H₁₁NO
Boiling Point 374.3 °C at 760 mmHg
Molecular Weight 197.236
Flash Point 157.7 °C
Transport Information
Appearance tan solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-methoxy-1-naphthyl acetonitrile;
PSA 33.02000
LogP 2.91448

Synthetic route

1-chloromethyl-7-methoxynaphthalene: 1-chloromethyl-7-methoxynaphthalene

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

: 773837-37-9
sodium cyanide

: 91571-02-7
1-bromomethyl-7-methoxynaphthalene

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
In dimethyl sulfoxide at 140 - 145℃; for 3h;	99%

: 861960-34-1
2-(7-methoxy-3,4-dihydronaphthalen-1-yl)acetonitrile

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
With oxygen; 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 20℃; under 15.0015 Torr; for 6h; Catalytic behavior; Solvent; Pressure; Green chemistry;	95%
With oxygen; 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 20℃; under 15.0015 Torr; for 5h; Solvent; Pressure; Time;	93%
With oxygen; 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 20℃; under 15.0015 Torr; for 5h; Pressure; Solvent;	93%

: 6836-19-7
7-Methoxy-1-tetralone

: 372-09-8
cyanoacetic acid

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
With 5%-palladium/activated carbon In dimethyl sulfoxide at 20℃; for 4.5h; Molecular sieve;	95%

: 1-cyano-1-(7-methoxy-3,4-dihydro-1-naphthyl)methanol acetate

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
With acetic acid for 12h; Reflux;	95%

: 83710-61-6
1-bromo-7-methoxy-naphthalene

: 590-17-0
cyanomethyl bromide

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
Stage #1: 1-bromo-7-methoxy-naphthalene With iodine; magnesium In tetrahydrofuran at 5 - 38℃; for 2.08333h; Stage #2: cyanomethyl bromide In tetrahydrofuran at 0 - 55℃; for 2h; Temperature; Solvent; Concentration;	94.6%

: 1-cyano-1-(7-methoxy-3,4-dihydro-1-naphthyl)methanol formate

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
With formic acid In toluene for 12h; Reflux;	94%

: 1079774-32-5
(7-hydroxy-1-naphthyl)acetonitrile

: 77-78-1
dimethyl sulfate

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
With potassium carbonate In acetone for 3h; Reflux;	92.9%

: 1-cyano-1-(7-methoxy-3,4-dihydro-1-naphthyl)methanol propionate

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
In toluene for 12h; Reflux;	92%

: 1-cyano-1-(7-methoxy-3,4-dihydro-1-naphthyl)methanol benzoate

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
With acetic acid In toluene for 12h; Reflux;	92%

: 138113-07-2
2-(2-methoxynaphthalen-8-yl)acetamide

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
With trichlorophosphate In dichloromethane; N,N-dimethyl-formamide at 85℃; for 2h;	91%
With triethylamine; trifluoroacetic anhydride In tetrahydrofuran for 1h; Ambient temperature;	83%
With triethylamine; trifluoroacetic anhydride In tetrahydrofuran at 20℃; Cooling with ice;	80%

: 1-cyano-1-(7-methoxy-3,4-dihydro-1-naphthyl)methanol butyrate

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
With butyric acid In ethyl acetate for 12h; Reflux;	90%

: 1-cyano(7-methoxy-3,4-dihydronaphthalen-1-yl)methyl 4-chlorobenzoate

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
With acetic acid for 12h; Reflux;	90%

: 1-cyano-1-(7-methoxy-3,4-dihydro-1-naphthyl)methanol isobutyrate

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
With acetic acid for 12h; Reflux;	89%

: 360766-78-5
1-hydroxy-7-methoxy-3,4-dihydro-1-naphthylacetonitrile

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene for 1h; Heating;	88.2%

: 1-cyano(7-methoxy-3,4-dihydronaphthalen-1-yl)methyl p-nitrobenzoate

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
With acetic acid In toluene for 12h; Reflux;	88%

: 1-(cyanomethyl)-7-methoxynaphthalen-2-yltrifluoromethanesulphonate

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen; triethylamine In ethanol at 20℃; under 3000.3 Torr; for 20h;	67%

: 1384168-59-5
(7-methoxy-1,2-dihydro-1-naphthyl)acetonitrile

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
With chloranil In toluene at 80℃; for 2.5h;	61%

: 59081-65-1
2-(1-hydroxyl-7-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-acetonitrile

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 90.7 percent / DDQ / CH2Cl2 / 20 °C 2: 88.2 percent / TsOH*H2O / benzene / 1 h / Heating View Scheme

: 6836-19-7
7-Methoxy-1-tetralone

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 95 percent / n-BuLi / tetrahydrofuran; hexane / 1 h / -78 °C 2: 90.7 percent / DDQ / CH2Cl2 / 20 °C 3: 88.2 percent / TsOH*H2O / benzene / 1 h / Heating View Scheme
Multi-step reaction with 6 steps 1.1: zinc / iodine / toluene / Reflux 1.2: Reflux 1.3: 3 h / Reflux 2.1: sulfur / ethyl acetate / 10 h / 215 °C 3.1: sodium hydroxide; water / ethanol / 3 h / 20 °C 4.1: thionyl chloride / dichloromethane / 2 h / Reflux 5.1: ammonia / ethyl acetate; water / Cooling with ice 6.1: triethylamine; trifluoroacetic anhydride / tetrahydrofuran / 20 °C / Cooling with ice View Scheme
Multi-step reaction with 2 steps 1: ammonium acetate / toluene / Azeotropic reflux 2: sulfur / 0.17 h / 175 °C View Scheme

: 6836-22-2
2-(7-methoxynaphthalen-1-yl)acetic acid

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: SOCl2 / CHCl3 / 2 h / Heating 2: conc. aq. NH3 / diethyl ether / 0.5 h 3: 83 percent / Et3N, (CF3CO)2O / tetrahydrofuran / 1 h / Ambient temperature View Scheme
Multi-step reaction with 3 steps 1: thionyl chloride / CHCl3 2: aq. NH4OH / diethyl ether / 0 °C 3: (CF3CO)2O / tetrahydrofuran / 0 °C View Scheme
Multi-step reaction with 3 steps 1: thionyl chloride / dichloromethane / 2 h / Reflux 2: ammonia / ethyl acetate; water / Cooling with ice 3: triethylamine; trifluoroacetic anhydride / tetrahydrofuran / 20 °C / Cooling with ice View Scheme
Multi-step reaction with 3 steps 1: thionyl chloride / dichloromethane; N,N-dimethyl-formamide / 35 - 40 °C 2: ammonia / toluene / 0 - 5 °C / pH 10 - 11 3: trichlorophosphate / dichloromethane; N,N-dimethyl-formamide / 2 h / 85 °C View Scheme

: 6836-23-3
(7-methoxy-1-naphthyl)acetic acid chloride

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: conc. aq. NH3 / diethyl ether / 0.5 h 2: 83 percent / Et3N, (CF3CO)2O / tetrahydrofuran / 1 h / Ambient temperature View Scheme
Multi-step reaction with 2 steps 1: aq. NH4OH / diethyl ether / 0 °C 2: (CF3CO)2O / tetrahydrofuran / 0 °C View Scheme

: 6836-21-1
ethyl 2-(7-methoxynaphthalen-1-yl)acetate

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: sodium hydroxide; water / ethanol / 3 h / 20 °C 2: thionyl chloride / dichloromethane / 2 h / Reflux 3: ammonia / ethyl acetate; water / Cooling with ice 4: triethylamine; trifluoroacetic anhydride / tetrahydrofuran / 20 °C / Cooling with ice View Scheme

: 27532-26-9
ethyl (1,2,3,4-tetrahydro-7-methoxy-1-naphthyl)acetate

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: sulfur / ethyl acetate / 10 h / 215 °C 2: sodium hydroxide; water / ethanol / 3 h / 20 °C 3: thionyl chloride / dichloromethane / 2 h / Reflux 4: ammonia / ethyl acetate; water / Cooling with ice 5: triethylamine; trifluoroacetic anhydride / tetrahydrofuran / 20 °C / Cooling with ice View Scheme

: 2825-01-6
1-methyl-7-methoxynaphthalene

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / 1.5 h / Reflux; Microwave irradiation 2: dimethyl sulfoxide / 3 h / 140 - 145 °C View Scheme

: 1384168-60-8
(7-methoxy-4-oxo-1,2,3,4-tetrahydro-1-naphthyl)acetonitrile

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: aluminum isopropoxide / isopropyl alcohol / 20 °C / Reflux 1.2: 1 h / Dean-Stark; Reflux 2.1: chloranil / toluene / 2.5 h / 80 °C View Scheme

: 93624-01-2
O-ethyl S-2-(4-methoxyphenyl)-2-oxoethyl carbonodithioate

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: ethyl acetate / 0.25 h / Reflux; Inert atmosphere 1.2: Reflux 2.1: chlorobenzene / 0.25 h / Reflux; Inert atmosphere 2.2: Reflux 3.1: aluminum isopropoxide / isopropyl alcohol / 20 °C / Reflux 3.2: 1 h / Dean-Stark; Reflux 4.1: chloranil / toluene / 2.5 h / 80 °C View Scheme

: 1384168-58-4
S-[1-(cyanomethyl)-4-(4-methoxyphenyl)-4-oxobutyl]-O-ethyl dithiocarbonate

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: chlorobenzene / 0.25 h / Reflux; Inert atmosphere 1.2: Reflux 2.1: aluminum isopropoxide / isopropyl alcohol / 20 °C / Reflux 2.2: 1 h / Dean-Stark; Reflux 3.1: chloranil / toluene / 2.5 h / 80 °C View Scheme

: 63319-95-9
[7-Methoxy-3,4-dihydro-2H-naphthalen-(1E)-ylidene]-acetic acid

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: palladium on activated charcoal; sodium carbonate; acrylic acid / water / 100 - 105 °C 2: thionyl chloride / dichloromethane; N,N-dimethyl-formamide / 35 - 40 °C 3: ammonia / toluene / 0 - 5 °C / pH 10 - 11 4: trichlorophosphate / dichloromethane; N,N-dimethyl-formamide / 2 h / 85 °C View Scheme

: 6836-20-0
ethyl (7-methoxy-1,2,3,4-tetrahydro-1-naphthalenylidene)acetate

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: potassium hydroxide / tert-butyl alcohol / 2 h / 85 - 90 °C 2: palladium on activated charcoal; sodium carbonate; acrylic acid / water / 100 - 105 °C 3: thionyl chloride / dichloromethane; N,N-dimethyl-formamide / 35 - 40 °C 4: ammonia / toluene / 0 - 5 °C / pH 10 - 11 5: trichlorophosphate / dichloromethane; N,N-dimethyl-formamide / 2 h / 85 °C View Scheme

Yield

Multi-step reaction with 5 steps
1: potassium hydroxide / tert-butyl alcohol / 2 h / 85 - 90 °C
2: palladium on activated charcoal; sodium carbonate; acrylic acid / water / 100 - 105 °C
3: thionyl chloride / dichloromethane; N,N-dimethyl-formamide / 35 - 40 °C
4: ammonia / toluene / 0 - 5 °C / pH 10 - 11
5: trichlorophosphate / dichloromethane; N,N-dimethyl-formamide / 2 h / 85 °C
View Scheme

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

: 861960-34-1
2-(7-methoxy-3,4-dihydronaphthalen-1-yl)acetonitrile

Conditions

Conditions	Yield
With allyl methacrylate; 5% active carbon-supported ruthenium In toluene at 80℃; for 4h; Catalytic behavior; Temperature; Solvent;	96.2%

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

: 138113-09-4
2-(7-methoxynaphth-1-yl)ethylamine

Conditions

Conditions	Yield
With ammonia; hydrogen In ethanol; water at 60℃; under 228015 Torr; for 12h; Autoclave;	95%
With hydrogen; ammonium hydroxide; nickel In methanol at 20℃; under 3102.97 Torr; for 20h;	92%
With ammonia; hydrogen In ethanol at 45℃; under 15001.5 Torr; Temperature; Pressure; Green chemistry;	71.2%

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

: 1079390-50-3
d2-(7-methoxy-naphthalen-1-yl)acetonitrile

Conditions

Conditions	Yield
With d(4)-methanol; water-d2; potassium carbonate In tetrahydrofuran at 20℃; for 5h;	95%

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

: 6836-22-2
2-(7-methoxynaphthalen-1-yl)acetic acid

Conditions

Conditions	Yield
With water; sodium hydroxide at 120℃; for 0.666667h; Microwave irradiation;	93%

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

: 139525-77-2
2-(7-methoxynaphthalen-1-yl)ethanamine hydrochloride

Conditions

Conditions	Yield
With hydrogen; sodium hydroxide In methanol; water at 30℃; under 3000.3 Torr;	92%
Stage #1: (7-methoxy-1-naphthyl)acetonitrile With hydrogen; sodium hydroxide In methanol; water; isopropyl alcohol at 25 - 30℃; under 7500.75 Torr; Stage #2: With hydrogenchloride In methanol; water; isopropyl alcohol at 50 - 55℃; for 1h;	90%
Stage #1: (7-methoxy-1-naphthyl)acetonitrile With ammonia; hydrogen In methanol at 15 - 55℃; under 3750.38 Torr; Autoclave; Stage #2: With hydrogenchloride In methanol; water; ethyl acetate at 0 - 5℃; for 1h;	83%

: 108-24-7
acetic anhydride

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

: 138112-76-2
agomelatine

Conditions

Conditions	Yield
With hydrogen; Raney nickel In ethanol; water at 70℃; under 22502.3 Torr;	89%
With hydrogen In ethanol; water at 70℃; under 22502.3 Torr;	89%
With hydrogen In ethanol; water at 70℃; under 22502.3 Torr; for 1h;	89%
With hydrogen In ethanol at 60℃; under 37503.8 Torr; for 4h;
Stage #1: (7-methoxy-1-naphthyl)acetonitrile With hydrogen; sodium hydroxide In methanol; water at 30℃; under 3000.3 Torr; Stage #2: acetic anhydride In methanol at 15 - 25℃;

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

: 616-38-6
carbonic acid dimethyl ester

: 148057-30-1
methyl 2-cyano-2-(7-methoxynaphthalen-1-yl)acetate

Conditions

Conditions	Yield
With sodium at 110℃; for 1h;	88%
Stage #1: (7-methoxy-1-naphthyl)acetonitrile With sodium hydride In tetrahydrofuran; mineral oil for 0.5h; Reflux; Stage #2: carbonic acid dimethyl ester In tetrahydrofuran; mineral oil for 0.5h; Reflux;	80%
Stage #1: (7-methoxy-1-naphthyl)acetonitrile With sodium hydride In tetrahydrofuran at 20℃; for 0.5h; Heating / reflux; Stage #2: carbonic acid dimethyl ester In tetrahydrofuran for 0.5h; Heating / reflux;
Stage #1: (7-methoxy-1-naphthyl)acetonitrile With sodium hydride In tetrahydrofuran at 20℃; for 0.5h; Heating / reflux; Stage #2: carbonic acid dimethyl ester In tetrahydrofuran for 0.5h; Heating / reflux; Stage #3: With hydrogenchloride In water

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

: 74-88-4
methyl iodide

: 259866-21-2
2-(7-methoxynaphthalen-1-yl)propionitrile

Conditions

Conditions	Yield
Stage #1: (7-methoxy-1-naphthyl)acetonitrile With sodium hydride In N,N-dimethyl-formamide at 20℃; for 0.5h; Metallation; Stage #2: methyl iodide In N,N-dimethyl-formamide for 1h; Methylation;	84%

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

: diphenyl(vinyl)sulfonium trifluoromethanesulfonate

: 1-(7-methoxynaphthalen-1-yl)cyclopropane carbonitrile

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dimethyl sulfoxide at 21℃; for 12h;	83%

: 124-38-9
carbon dioxide

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

: 2-(7-methoxynaphthalen-1-yl)ethanamine carbon dioxide adduct

Conditions

Conditions	Yield
Stage #1: (7-methoxy-1-naphthyl)acetonitrile With ammonium hydroxide; hydrogen In methanol; water at 40℃; Stage #2: carbon dioxide In toluene at 10 - 15℃;	81%

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

: 74-88-4
methyl iodide

: 1574512-73-4
2-(7-methoxynaphthalen-1-yl)-2-methylpropanenitrile

Conditions

Conditions	Yield
Stage #1: (7-methoxy-1-naphthyl)acetonitrile With sodium hydride In N,N-dimethyl-formamide; mineral oil at -30℃; Stage #2: methyl iodide In N,N-dimethyl-formamide; mineral oil at -30 - 65℃;	80.3%
Stage #1: (7-methoxy-1-naphthyl)acetonitrile With potassium carbonate In acetone for 0.5h; Reflux; Stage #2: methyl iodide In acetone for 2h; Reflux;	75%

: 24424-99-5
di-tert-butyl dicarbonate

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

: 1617524-06-7
Tert-butyl (2-(7-methoxynaphthalen-1-yl)ethyl)carbamate

Conditions

Conditions	Yield
With sodium tetrahydroborate; nickel dichloride In methanol at 20℃; for 12h; Inert atmosphere;	80%

: 96-32-2
bromoacetic acid methyl ester

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

: 259866-37-0
methyl 3-cyano-3-(7-methoxynaphthalen-1-yl)propanoate

Conditions

Conditions	Yield
Stage #1: (7-methoxy-1-naphthyl)acetonitrile With tetrabutylammomium bromide; potassium carbonate In acetone for 0.5h; Reflux; Stage #2: bromoacetic acid methyl ester In acetone for 24h; Reflux;	75%
Stage #1: (7-methoxy-1-naphthyl)acetonitrile With sodium hydride In tetrahydrofuran at 50℃; for 1h; Metallation; Stage #2: bromoacetic acid methyl ester In tetrahydrofuran for 1h; Alkylation; Heating;	67%

: 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile

: 70-11-1
α-bromoacetophenone

: 4-(7-methoxynaphthalen-1-yl)-1-phenylbutane-1,3-dione

Conditions

Conditions	Yield
Stage #1: (7-methoxy-1-naphthyl)acetonitrile; α-bromoacetophenone With chloro-trimethyl-silane; zinc In tetrahydrofuran for 6h; Blaise Reaction; Reflux; Inert atmosphere; Stage #2: With hydrogenchloride In tetrahydrofuran; water at 100℃; for 0.5h; pH=2; Blaise Reaction; Inert atmosphere;	75%

7-Methoxy-1-naphthylacetonitrile Specification

The 7-Methoxy-1-naphthylacetonitrile with cas register number of 138113-08-3 belongs to the categories of Aromatics Compounds. It has the appearance of tan solid. Its systematic name is called (7-methoxynaphthalen-1-yl)acetonitrile; 1-Cyanomethyl-7-methoxynaphthalene; 2-(7-Methoxy-1-naphthyl)acetonitrile; Agomelatine Intermediate 1; N-[2-(7-Methoxy-1-naphthyl)ethyl]acetaMide.

The physical properties about 7-Methoxy-1-naphthylacetonitrile are: (1)ACD/LogP: 2.595; (2)ACD/LogD (pH 5.5): 2.60; (3)ACD/LogD (pH 7.4): 2.60; (4)ACD/BCF (pH 5.5): 55.24; (5)ACD/BCF (pH 7.4): 55.24; (6)ACD/KOC (pH 5.5): 614.76; (7)ACD/KOC (pH 7.4): 614.76; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds:2; (10)Index of Refraction: 1.609; (11)Molar Refractivity: 60.237 cm³; (12)Molar Volume: 173.752 cm³; (13)Polarizability: 23.88 10-24cm³; (14)Surface Tension: 46.068000793457 dyne/cm; (15)Density: 1.135 g/cm³; (16)Flash Point: 157.742 °C; (17)Enthalpy of Vaporization: 62.173 kJ/mol; (18)Boiling Point: 374.348 °C at 760 mmHg

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc1c2c(ccc1)ccc(OC)c2;
(2)InChI: InChI=1/C13H11NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7H2,1H3;
(3)InChIKey: PYJMGUQHJINLLD-UHFFFAOYAD

Product Name

7-Methoxy-1-naphthylacetonitrile

Synthetic route

7-Methoxy-1-naphthylacetonitrile Specification

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