4-Cyano-2-ethylpyridine supplier

Name
2-Ethylisonicotinonitrile
EINECS 216-238-5
CAS No. 1531-18-6
Article Data33
CAS DataBase
Density 1.05 g/cm³
Solubility
Melting Point
Formula C₈H₈N₂
Boiling Point 211.4 °C at 760 mmHg
Molecular Weight 132.165
Flash Point 86.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Pyridinecarbonitrile, 2-ethyl-;
PSA 36.68000
LogP 1.51568

Synthetic route

: 156761-88-5
4-bromo-2-ethyl-pyridine

: potassiumhexacyanoferrate(II) trihydrate

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

Conditions

Conditions	Yield
With palladium diacetate; sodium carbonate In N,N-dimethyl acetamide at 135℃; for 2h; Temperature; Inert atmosphere;	95.9%

: 3376-95-2
2-ethyl-4-pyridinecarboxamide

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

Conditions

Conditions	Yield
With di(n-butyl)tin oxide In toluene Heating;	95%
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane at 40℃;	95%
With di(n-butyl)tin oxide In toluene Dehydration; Heating;	93%

: 536-33-4
ethionamide

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

Conditions

Conditions	Yield
With pyridine; aryl chlorothionoformate In dichloromethane for 5h; Ambient temperature;	95%
With di(n-butyl)tin oxide In toluene for 3h; Dehydration; Heating;	95%
With triethylamine; 2,2,2-Trichloroethyl chloroformate In dichloromethane at 0 - 20℃; Elimination;	92%

: 10349-60-7
2-ethyl-4-pyridinaldehyde

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

Conditions

Conditions	Yield
With Mont KSF; hydroxylamine hydrochloride; silica gel for 0.0666667h; microwave irradiation;	94%

: 33252-30-1
2-chloro-4-pyridinenitrile

: 97-93-8
triethylaluminum

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

Conditions

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In 1,4-dioxane; hexane at 100℃; for 5h; Inert atmosphere;	89%

: 100-48-1
pyridine-4-carbonitrile

: 64-17-5
ethanol

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

Conditions

Conditions	Yield
With tert-butyl peroxypivalate; sulfuric acid at 75℃; for 4h; Product distribution; Mechanism;	65%
With sulfuric acid; acetone Product distribution; Mechanism; Irradiation; mercury lamp;	2%
With sulfuric acid Irradiation; Co-60 γ-rays;

: 2-ethyl-pyridine-4-carbaldehyde oxime

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

Conditions

Conditions	Yield
With aluminum oxide for 0.075h; microwave irradiation;	60%

: 100-48-1
pyridine-4-carbonitrile

: 802294-64-0
propionic acid

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

Conditions

Conditions	Yield
With ammonium persulfate; sulfuric acid; silver nitrate In water at 70℃; for 0.333333h;	48%

: 156761-88-5
4-bromo-2-ethyl-pyridine

CuCN: CuCN

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

Conditions

Conditions	Yield
at 160 - 170℃;

: 1531-16-4
methyl 2-ethylpyridine-4-carboxylate

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aqueous NH3 2: POCl3 / 120 - 130 °C View Scheme

: 15862-61-0
ethyl 2-ethylisonicotinate

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aqueous NH3 2: P2O5 / 160 - 180 °C View Scheme

: 4104-77-2
2-ethyl-6-chloro-isonicotinic acid methyl ester

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: palladium/charcoal; methanol; potassium acetate / Hydrogenation 2: aqueous NH3 3: POCl3 / 120 - 130 °C View Scheme

: 4009-26-1
2-ethyl-6-chloro-isonicotinic acid ethyl ester

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: palladium/charcoal; ethanol; potassium acetate / Hydrogenation 2: aqueous NH3 3: P2O5 / 160 - 180 °C View Scheme

: 50826-64-7
4-amino-2-ethylpyridine

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: bromine; aqueous sodium nitrite solution; aqueous hydrobromic acid 2: 160 - 170 °C View Scheme

: 4833-24-3
2-ethylpyridine 1-oxide

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: sulfuric acid; nitric acid 2: iron; concentrated aqueous HCl; acetic acid 3: bromine; aqueous sodium nitrite solution; aqueous hydrobromic acid 4: 160 - 170 °C View Scheme

: 38594-62-6
2-ethyl-4-nitropyridine 1-oxide

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: iron; concentrated aqueous HCl; acetic acid 2: bromine; aqueous sodium nitrite solution; aqueous hydrobromic acid 3: 160 - 170 °C View Scheme

: 536-33-4
ethionamide

: 865-05-4
nicotinamide adenine dinucleotide

A: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

B: 3376-96-3
2-ethylpyridine-4-carboxylic acid

C: 3376-95-2
2-ethyl-4-pyridinecarboxamide

D: 1531-16-4
methyl 2-ethylpyridine-4-carboxylate

E: C29H35N8O15P2(1+)

F: ethionamide S-oxide

Conditions

Conditions	Yield
With Oxone In methanol; water at 20℃; for 1.5h;

...Expand

: 536-33-4
ethionamide

A: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

B: 3376-96-3
2-ethylpyridine-4-carboxylic acid

C: 3376-95-2
2-ethyl-4-pyridinecarboxamide

D: 1531-16-4
methyl 2-ethylpyridine-4-carboxylate

E: ethionamide S-oxide

F: C16H20N4

Conditions

Conditions	Yield
With Oxone In methanol; water at 20℃; for 0.0833333h;

...Expand

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

: 3376-95-2
2-ethyl-4-pyridinecarboxamide

Conditions

Conditions	Yield
With water at 110℃; for 24h;	97%

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

: 645418-40-2
1-(2-ethylpyridin-4-yl)methanamine

Conditions

Conditions	Yield
With hydrogen; palladium(II) hydroxide; triethylamine In methanol at 20℃; under 3750.38 Torr; Autoclave;	95%
With lithium aluminium tetrahydride In tetrahydrofuran at -78℃; for 0.5h;	87%

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

: 536-33-4
ethionamide

Conditions

Conditions	Yield
With 2,3,4,5,7,8,9,10-octahydropyrimido[1,2-a]azepin-1-ium acetate; sodiumsulfide nonahydrate In neat (no solvent) at 20℃; for 2h; Green chemistry;	80%
Stage #1: 2-ethyl-4-pyridinecarbonitrile With magnesium chloride In N,N-dimethyl-formamide for 0.0833333h; Inert atmosphere; Stage #2: With sodium hydrogen sulfide In N,N-dimethyl-formamide at 20℃; for 2h;	70%
With sodiumsulfide nonahydrate In N,N-dimethyl-formamide at 130℃; for 2.5h;	67%
With triethanolamine; ethanol Einleiten von H2S;
With pyridine; triethylamine Einleiten von H2S;

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

: 80522-46-9
1-triisopropylsiloxy-1-cyclohexene

: C22H37NOSi

Conditions

Conditions	Yield
With Ir(dF(CF3)ppy)2(bpy)PF6 In dichloromethane for 12h; Inert atmosphere; Sealed tube; Irradiation;	71%

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

: 10349-60-7
2-ethyl-4-pyridinaldehyde

Conditions

Conditions	Yield
Stage #1: 2-ethyl-4-pyridinecarbonitrile With diisobutylaluminium hydride In hexane; toluene at -78 - 5℃; Stage #2: With methanol In hexane; toluene at -78 - 5℃; Stage #3: With water; rochelle salt In methanol; hexane; water; toluene for 0.05h;

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

: 73183-34-3
bis(pinacol)diborane

A: 1438415-09-8
C14H19BN2O2

B: 1438415-08-7
C20H30B2N2O4

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)diiridium(I) dichloride In octane at 150℃; for 13h; Reflux; Inert atmosphere;	A 16 %Spectr. B 5 %Spectr.

...Expand

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

: 2-(2-ethylpyridin-4-yl)-4-(2-methoxypyridin-4-yl)thiazole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: magnesium chloride / N,N-dimethyl-formamide / 0.08 h / Inert atmosphere 1.2: 2 h / 20 °C 2.1: sodium hydroxide / 120 °C View Scheme

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

: 125255-97-2
4-(4-chlorophenyl)-2-(ethylpyridin-4-yl)thiazole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: magnesium chloride / N,N-dimethyl-formamide / 0.08 h / Inert atmosphere 1.2: 2 h / 20 °C 2.1: ethanol / 80 °C View Scheme

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

: 6-chloro-N-((2-ethylpyridin-4-yl)methyl)-3-(4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: palladium(II) hydroxide; triethylamine; hydrogen / methanol / 20 °C / 3750.38 Torr / Autoclave 2: N-ethyl-N,N-diisopropylamine / ethanol / 12 h / 75 °C 3: 1,4-dioxane; water / 16 h / Heating View Scheme

: 1531-18-6
2-ethyl-4-pyridinecarbonitrile

: 5-(6-chloro-8-(((2-ethylpyridin-4-yl)methyl)amino)-2-methylimidazo[1,2-b]pyridazin-3-yl)-2-methoxybenzenesulfonyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: palladium(II) hydroxide; triethylamine; hydrogen / methanol / 20 °C / 3750.38 Torr / Autoclave 2: N-ethyl-N,N-diisopropylamine / ethanol / 12 h / 75 °C 3: 1,4-dioxane; water / 16 h / Heating 4: chlorosulfonic acid / dichloromethane / 4.5 h / 20 °C / Cooling with ice View Scheme

4-Cyano-2-ethylpyridine Specification

The 2-Ethylisonicotinonitrile, with the CAS registry number 1531-18-6, is also known as 4-Pyridinecarbonitrile, 2-ethyl-. Its EINECS registry number is 216-238-5. This chemical's molecular formula is C₈H₈N₂ and molecular weight is 132.16252. What's more, its IUPAC name is 2-Ethylpyridine-4-carbonitrile.

Physical properties about 2-Ethylisonicotinonitrile are: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.4; (4)ACD/LogD (pH 7.4): 1.4; (5)ACD/BCF (pH 5.5): 6.77; (6)ACD/BCF (pH 7.4): 6.78; (7)ACD/KOC (pH 5.5): 136.82; (8)ACD/KOC (pH 7.4): 136.97; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 36.68 Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 38.37 cm³; (15)Molar Volume: 125.5 cm³; (16)Polarizability: 15.21×10^-24 cm³; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.05 g/cm³; (19)Flash Point: 86.8 °C; (20)Enthalpy of Vaporization: 44.76 kJ/mol; (21)Boiling Point: 211.4 °C at 760 mmHg; (22)Vapour Pressure: 0.183 mmHg at 25 °C.

Preparation of 2-Ethylisonicotinonitrile: this chemical is prepared by reaction of Isonicotinonitrile with Ethanol. This reaction needs solvents t-Butyl peroxypivalate and H₂SO₄. The reaction time is 4 hours with reaction temperature of 75 °C. The yield is about 65 %.

The 2-Ethylisonicotinonitrile can be obtained by Isonicotinonitrile and Ethanol.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ccnc(c1)CC
(2) InChI: InChI=1/C8H8N2/c1-2-8-5-7(6-9)3-4-10-8/h3-5H,2H2,1H3
(3) InChIKey: WERAOGVQORFBMU-UHFFFAOYAG

Product Name

2-Ethylisonicotinonitrile

Synthetic route

4-Cyano-2-ethylpyridine Specification

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