5-Ethylpicolinonitrile

Base Information

• Chemical Name: 5-Ethylpicolinonitrile
• CAS No.: 14178-13-3
• Molecular Formula: C8H8N2
• Molecular Weight: 132.165
• DSSTox Substance ID: DTXSID80466029
• Wikidata: Q82292400
• Mol file: 14178-13-3.mol

Synonyms:5-ethylpicolinonitrile;14178-13-3;2-PYRIDINECARBONITRILE, 5-ETHYL-;5-ethylpyridine-2-carbonitrile;2-cyano-5-ethylpyridine;5-ethyl-2-cyanopyridine;2-cyano-5-ethylpyri-dine;SCHEMBL2760434;DTXSID80466029;HNGMNJRGXUWALI-UHFFFAOYSA-N;AKOS006323728

Chemical Property of 5-Ethylpicolinonitrile

Chemical Property:

• PSA: 36.68000
• LogP: 1.51568
• XLogP3: 1.7
• 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:

98% ^*data from raw suppliers

5-ethyl-2-Pyridinecarbonitrile 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Ethylpicolinonitrile

There total 12 articles about 5-Ethylpicolinonitrile 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: 95.0%

5-ethyl-pyridine-2-carboxaldehyde (21913-84-8) → 5-ethyl-pyridine-2-carbonitrile (14178-13-3)

Guidance literature:

With hydroxylamine hydrochloride; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; In ethyl acetate; N,N-dimethyl-formamide; at 100 ℃;

DOI:10.1055/s-0029-1218388

Reference yield:

5-ethyl-2-methyl-pyridine (104-90-5) → 2-methyl-5-vinylpyridine (140-76-1,25038-86-2) + pyridine-3-carbonitrile (100-54-9,121697-66-3,1232169-17-3,68271-95-4) + 5-ethyl-pyridine-2-carbonitrile (14178-13-3) + 2-cyano-5-vinylpyridine (63405-32-3)

Guidance literature:

With ammonia; water; oxygen; vanadia; titanium(IV) oxide; at 380 ℃; Further Variations:; reaction times; Product distribution;

DOI:10.1023/A:1020712212790

Reference yield:

2-ethyl-2-propenal-N,N-dimethylhydrazone (25186-12-3) + 2-Chloroacrylonitrile (920-37-6) → 5-ethyl-pyridine-2-carbonitrile (14178-13-3)

Guidance literature:

With hydrogenchloride; triethylamine; In 1,4-dioxane; acetonitrile;

upstream raw materials:

5-ethyl-pyridine-2-carboxylic acid amide

3-ethylpyridine N-oxide

trimethylsilyl cyanide

5-ethyl-pyridine-2-carbaldehyde oxime

Refernces

• 1、 Saurambaeva,Sembaev. "Effect of reaction medium on the composition of vanadium-titanium catalyst in oxidative ammonolysis of alkylpyridines". . p. 1104 - 1107. Retrieved 2007/10/03.
• 2、 Waldner, Adrian. "A SHORT SYNTHESIS OF FUSARIC ACID AND ANALOGUES". . p. 2371 - 2374. Retrieved 2007/10/02.