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31255-57-9

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Basic Information
CAS No.: 31255-57-9
Name: 3-[2-(3-Chlorophenyl)ethyl]-2-pyridinecarbonitrile
Article Data: 22
Molecular Structure:
Molecular Structure of 31255-57-9 (3-[2-(3-Chlorophenyl)ethyl]-2-pyridinecarbonitrile)
Formula: C14H11ClN2
Molecular Weight: 242.708
Synonyms: Picolinonitrile,3-(m-chlorophenethyl)- (8CI);
EINECS: 145-896-5
Density: 1.23 g/cm3
Melting Point: 71-72 °C
Boiling Point: 375.7 °C at 760 mmHg
Flash Point: 181 °C
Appearance: Light brown solid
PSA: 36.68000
LogP: 3.39188
Related products
Synthetic route

3-[2-(3-chlorophenyl)vinyl]-2-pyridinecarbonitrile

31255-57-9

3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbonitrile

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In tetrahydrofuran; methanol at 20℃; under 760.051 Torr; for 24h; Reagent/catalyst; Solvent;96%
107285-30-3

3-<2-(3-chlorophenyl)ethyl>-N-(1,1-dimethylethyl)-2-pyridinecarboxamide

31255-57-9

3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbonitrile

Conditions
ConditionsYield
With trichlorophosphate In toluene for 4h; Reflux;74%
With trichlorophosphate at 80℃; for 2.5h;68.1%
With trichlorophosphate for 5h; Heating / reflux;63%
31255-47-7

3-(3-chlorophenethyl)-pyridine N-oxide

143-33-9

sodium cyanide

31255-57-9

3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbonitrile

Conditions
ConditionsYield
Stage #1: 3-(3-chlorophenethyl)-pyridine N-oxide With N,N-Dimethylcarbamoyl chloride In acetonitrile at 35 - 40℃; for 1 - 3h;
Stage #2: sodium cyanide In water; acetonitrile at -5 - 0℃; for 3 - 4h;
Stage #3: With sodium hydroxide In water; acetonitrile for 2 - 3h;		73.5%
20970-75-6

2-cyano-3-methylpyridine

31255-57-9

3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbonitrile

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 97 percent / conc. H2SO4 / 0.5 h / 75 °C
2: 1.) n-BuLi, NaBr / 1.) THF, hexane, -40 deg C, 10 min, 2.) THF, hexane, -40 deg C, 30 min
3: 1.) POCl3, 2.) 50percent aq. NaOH / 1.) reflux, 3 h, 2.) 30 deg C, 2 h, pH 8
View Scheme
Multi-step reaction with 3 steps
1: N-chloro-succinimide; dibenzoyl peroxide / tetrachloromethane / 48 h / Reflux
2: magnesium; iodine / tetrahydrofuran / 1 h / 35 - 40 °C / Inert atmosphere
3: palladium 10% on activated carbon / tetrahydrofuran / 12 h / 25 - 35 °C
View Scheme
Multi-step reaction with 3 steps
1.1: sulfuric acid / 0.5 h / 70 - 75 °C
2.1: n-butyllithium / tetrahydrofuran / 0.33 h / -30 - -10 °C / Inert atmosphere
2.2: 1 h / -10 °C / Inert atmosphere
3.1: trichlorophosphate / 4 h / 110 °C
View Scheme
Multi-step reaction with 3 steps
1.1: sulfuric acid; water; acetic acid / 60 °C
1.2: 2.5 h / 70 - 80 °C
2.1: n-butyllithium; sodium bromide / tetrahydrofuran / 0.5 h / 0 °C / Inert atmosphere
2.2: 2 h / Inert atmosphere
3.1: trichlorophosphate / 2.5 h / 80 °C
View Scheme
32998-95-1

N-tert-butyl-3-methylpyridine-2-carboxamide

31255-57-9

3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbonitrile

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1.) n-BuLi, NaBr / 1.) THF, hexane, -40 deg C, 10 min, 2.) THF, hexane, -40 deg C, 30 min
2: 1.) POCl3, 2.) 50percent aq. NaOH / 1.) reflux, 3 h, 2.) 30 deg C, 2 h, pH 8
View Scheme
Multi-step reaction with 2 steps
1: 1.) n-BuLi / 1.) THF, -40 deg C
2: POCl3 / Heating
View Scheme
Multi-step reaction with 2 steps
1.1: n-butyllithium / tetrahydrofuran / 0.33 h / -30 - -10 °C / Inert atmosphere
1.2: 1 h / -10 °C / Inert atmosphere
2.1: trichlorophosphate / 4 h / 110 °C
View Scheme
Multi-step reaction with 2 steps
1.1: n-butyllithium; sodium bromide / tetrahydrofuran / 0.5 h / 0 °C / Inert atmosphere
1.2: 2 h / Inert atmosphere
2.1: trichlorophosphate / 2.5 h / 80 °C
View Scheme
620-20-2

1-Chloro-3-chloromethyl-benzene

31255-57-9

3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbonitrile

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1.) n-BuLi / 1.) THF, -40 deg C
2: POCl3 / Heating
View Scheme
3-[2-(3-Chlorophenyl)Ethyl]-1,1-Dimethylethyl)-2-Pyridine Carboxamide

3-[2-(3-Chlorophenyl)Ethyl]-1,1-Dimethylethyl)-2-Pyridine Carboxamide

107285-30-3

3-<2-(3-chlorophenyl)ethyl>-N-(1,1-dimethylethyl)-2-pyridinecarboxamide

31255-57-9

3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbonitrile

Conditions
ConditionsYield
With sodium hydroxide In water; isopropyl alcohol; trichlorophosphate118 g (HPLC purity 95.7%)

C7H5ClMgN2

620-20-2

1-Chloro-3-chloromethyl-benzene

31255-57-9

3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbonitrile

Conditions
ConditionsYield
With palladium 10% on activated carbon In tetrahydrofuran at 25 - 35℃; for 12h;8.65 g
31255-57-9

3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbonitrile

3-(2-(3-chlorophenyl)ethanyl)pyridine-2-carboxylic acid

Conditions
ConditionsYield
Stage #1: 3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbonitrile With sulfuric acid; water at 120 - 122℃; for 10 - 12h;
Stage #2: With sodium hydroxide In water at 90℃;		94.4%
31255-57-9

3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbonitrile

31251-41-9

8-chloro-5,6-dihydro-11H-Benzo[5,6]cyclohepta[1,2-b]pyridin-11-one

Conditions
ConditionsYield
Stage #1: 3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbonitrile With trifluorormethanesulfonic acid at 60℃; for 1h;
Stage #2: With hydrogenchloride In water at 20℃; for 1h; Heating / reflux;		94%
With PPA at 200℃;45%
With PPA Heating;
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Chemistry

Molecular structure of 3-[2-(3-Chlorophenyl)ethyl]-2-pyridinecarbonitrile (CAS NO.31255-57-9) is:

Product Name: 3-[2-(3-Chlorophenyl)ethyl]-2-pyridinecarbonitrile
CAS Registry Number: 31255-57-9
Systematic Name: 3-[2-(3-Chlorophenyl)ethyl]pyridine-2-carbonitrile
Empirical Formula: C14H11ClN2
Molecular Weight: 242.7035
Index of Refraction: 1.605
Molar Refractivity: 67.91 cm3
Molar Volume: 196.9 cm3
Surface Tension: 55.6 dyne/cm
Density: 1.23 g/cm3
Flash Point: 181 °C
Enthalpy of Vaporization: 62.32 kJ/mol
Boiling Point: 375.7 °C at 760 mmHg
Vapour Pressure: 7.65E-06 mmHg at 25°C
Product Categories: Pyridine

Specification

 3-[2-(3-Chlorophenyl)ethyl]-2-pyridinecarbonitrile , its cas register number is 31255-57-9. It also can be called 2-Pyridinecarbonitrile,3-[2-(3-chlorophenyl)ethyl]- ; 3-[2-(3-Chlorophenyl)-ethyl]-pyridine-2-carbonitrile ; 3-[2-(3-Chlorophenyl)-ethyl]-pyridine carbonitrile ; 3-[2-(3-Chlorophenyl)ethyl]-2-cyanopyridine .