CAS No.1531-18-6,2-Ethylisonicotinonitrile Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1531-18-6
Name:	2-Ethylisonicotinonitrile
Article Data:	33

Formula:	C₈H₈N₂
Molecular Weight:	132.165
Synonyms:	4-Pyridinecarbonitrile, 2-ethyl-;
EINECS:	216-238-5
Density:	1.05 g/cm³
Boiling Point:	211.4 °C at 760 mmHg
Flash Point:	86.8 °C
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

Raw Materials

64-17-5

100-48-1

536-33-4

Downstream Products

536-33-4

Total:60 Page 1 of 2 1 2 Next>>

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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