2-Ethylisonicotinonitrile

Base Information

• Chemical Name: 2-Ethylisonicotinonitrile
• CAS No.: 1531-18-6
• Molecular Formula: C8H8N2
• Molecular Weight: 132.165
• Hs Code.: 2933399090
• European Community (EC) Number: 216-238-5
• UNII: BBA424N182
• DSSTox Substance ID: DTXSID90165218
• Nikkaji Number: J206.750A
• Wikidata: Q72458184
• Mol file: 1531-18-6.mol

Synonyms:2-Ethylisonicotinonitrile;1531-18-6;2-ethylpyridine-4-carbonitrile;4-Cyano-2-ethylpyridine;4-Pyridinecarbonitrile, 2-ethyl-;BBA424N182;EINECS 216-238-5;UNII-BBA424N182;SCHEMBL3242600;DTXSID90165218;BAA53118;CL0111;MFCD12546403;AKOS022188937;DS-9139;SB52627;AC-23134;CS-0169266;ETHIONAMIDE IMPURITY D [EP IMPURITY];FT-0759715;A883846

Chemical Property of 2-Ethylisonicotinonitrile

Chemical Property:

• Vapor Pressure: 0.183mmHg at 25°C
• Refractive Index: 1.519
• Boiling Point: 211.4 °C at 760 mmHg
• Flash Point: 86.8 °C
• PSA: 36.68000
• Density: 1.05 g/cm³
• LogP: 1.51568
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 132.068748264
• Heavy Atom Count: 10
• Complexity: 145

Purity/Quality:

99%, ^*data from raw suppliers

2-Ethylisonicotinonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=NC=CC(=C1)C#N

Technology Process of 2-Ethylisonicotinonitrile

There total 19 articles about 2-Ethylisonicotinonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.9%

4-bromo-2-ethyl-pyridine (156761-88-5) + potassiumhexacyanoferrate(II) trihydrate → 2-ethyl-4-pyridinecarbonitrile (1531-18-6)

Guidance literature:

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

Reference yield: 95.0%

2-ethylpyridine-4-carboxamide (3376-95-2) → 2-ethyl-4-pyridinecarbonitrile (1531-18-6)

Guidance literature:

With di(n-butyl)tin oxide; In toluene; Heating;

DOI:10.1021/jo981839o

Reference yield: 95.0%

ethionamide (536-33-4,5261-38-1) → 2-ethyl-4-pyridinecarbonitrile (1531-18-6)

Guidance literature:

With pyridine; aryl chlorothionoformate; In dichloromethane; for 5h; Ambient temperature;

DOI:10.1016/S0040-4039(98)02361-2

upstream raw materials:

2-ethylpyridine-4-carboxamide

pyridine-4-carbonitrile

ethanol

ethionamide

Downstream raw materials:

1-(2-ethylpyridin-4-yl)methanamine

Refernces

• 1、 Laborde, Julie,Deraeve, Céline,Duhayon, Carine,Pratviel, Geneviève,Bernardes-Génisson, Vania. "Ethionamide biomimetic activation and an unprecedented mechanism for its conversion into active and non-active metabolites". . p. 8848 - 8858. Retrieved 2016.
• 2、 Bose,Narsaiah. "Use of PyBOP as a convenient activator for the synthesis of nitriles from primary amides". . p. 373 - 375. Retrieved 2001.
• 3、 Xu, Tianxiao,Cao, Tianpeng,Feng, Qingyuan,Huang, Shenlin,Liao, Saihu. "Metal-free dehydrosulfurization of thioamides to nitriles under visible light". supporting information. p. 5151 - 5153. Retrieved 2020/05/26.