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Cas Database |
| Name |
3-[2-(3-Chlorophenyl)ethyl]-2-pyridinecarbonitrile |
EINECS | 145-896-5 |
| CAS No. | 31255-57-9 | Density | 1.23 g/cm3 |
| PSA | 36.68000 | LogP | 3.39188 |
| Solubility | N/A | Melting Point |
71-72 °C |
| Formula | C14H11ClN2 | Boiling Point | 375.7 °C at 760 mmHg |
| Molecular Weight | 242.708 | Flash Point | 181 °C |
| Transport Information | N/A | Appearance | Light brown solid |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Picolinonitrile,3-(m-chlorophenethyl)- (8CI); |
Article Data | 22 |
3-[2-(3-Chlorophenyl)ethyl]-2-pyridinecarbonitrile Synthetic route
- 31255-57-9
3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbonitrile
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 1.) n-BuLi / 1.) THF, -40 deg C 2: POCl3 / Heating View Scheme |
- 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 | Yield |
|---|---|
| With sodium hydroxide In water; isopropyl alcohol; trichlorophosphate | 118 g (HPLC purity 95.7%) |
- 620-20-2
1-Chloro-3-chloromethyl-benzene
- 31255-57-9
3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbonitrile
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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; |
3-[2-(3-Chlorophenyl)ethyl]-2-pyridinecarbonitrile Chemical Properties
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
3-[2-(3-Chlorophenyl)ethyl]-2-pyridinecarbonitrile 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 .
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