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4-Cyano-2-ethylpyridine

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Name

4-Cyano-2-ethylpyridine

EINECS 216-238-5
CAS No. 1531-18-6 Density 1.05 g/cm3
PSA 36.68000 LogP 1.51568
Solubility N/A Melting Point N/A
Formula C8H8N2 Boiling Point 211.4 °C at 760 mmHg
Molecular Weight 132.165 Flash Point 86.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1531-18-6 (2-Ethylisonicotinonitrile) Hazard Symbols N/A
Synonyms

4-Pyridinecarbonitrile, 2-ethyl-;

Article Data 33

4-Cyano-2-ethylpyridine Synthetic route

156761-88-5

4-bromo-2-ethyl-pyridine

potassiumhexacyanoferrate(II) trihydrate

1531-18-6

2-ethyl-4-pyridinecarbonitrile

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
at 160 - 170℃;
1531-16-4

methyl 2-ethylpyridine-4-carboxylate

1531-18-6

2-ethyl-4-pyridinecarbonitrile

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

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