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138113-08-3

Basic Information
CAS No.: 138113-08-3
Name: 7-Methoxy-1-naphthylacetonitrile
Article Data: 31
Molecular Structure:
Molecular Structure of 138113-08-3 (7-Methoxy-1-naphthylacetonitrile)
Formula: C13H11NO
Molecular Weight: 197.236
Synonyms: 7-methoxy-1-naphthyl acetonitrile;
EINECS: -0
Density: 1.135 g/cm3
Melting Point: 81-83 °C
Boiling Point: 374.3 °C at 760 mmHg
Flash Point: 157.7 °C
Appearance: tan solid
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With acetic acid In toluene for 12h; Reflux;92%
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    Product Name: 7-Methoxy-1-naphthylacetonitrile Synonyms: 1-Cyanomethyl-7-methoxynaphthalene;2-(7-Methoxy-1-naphthyl)acetonitrile;7-Methoxy-1-naphthaleneacetinitrile;7-Methoxy-1-naphthylacetonitrile;2-(7-methoxynaphthalen-1-yl)acetonitrile;Agomela

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    138113-08-3

    CAS138113-08-3 7-Methoxy-1-naphthylacetonitrile

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    138113-08-3

    7-Methoxy-1-naphthylacetonitrile

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    138113-08-3

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    138113-08-3

    7-Methoxy-1-naphthylacetonitrile

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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

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