2-Pyridin-2-YL-butyronitrile

Base Information

• Chemical Name: 2-Pyridin-2-YL-butyronitrile
• CAS No.: 13427-10-6
• Molecular Formula: C₉H₁₀N₂
• Molecular Weight: 146.192
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30501176
• Nikkaji Number: J2.262.308G
• Mol file: 13427-10-6.mol

Synonyms:2-PYRIDIN-2-YL-BUTYRONITRILE;13427-10-6;2-(Pyridin-2-yl)butanenitrile;2-pyridin-2-ylbutanenitrile;2-pyridyl butyronitrile;ethyl 2-pyridinylacetonitrile;SCHEMBL10632634;DTXSID30501176;LPJLBOSAMLFOSV-UHFFFAOYSA-N;AKOS006284241

Chemical Property of 2-Pyridin-2-YL-butyronitrile

Chemical Property:

• PSA: 36.68000
• LogP: 2.09878
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 146.084398327
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

98% ^*data from raw suppliers

2-PYRIDIN-2-YL-BUTYRONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C#N)C1=CC=CC=N1

Technology Process of 2-Pyridin-2-YL-butyronitrile

There total 8 articles about 2-Pyridin-2-YL-butyronitrile 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: 89.0%

α-Ethyl-α-phenylsulfonyl-2-pyridineacetonitrile (130138-44-2) → 2-pyridin-2-yl-butyronitrile (13427-10-6)

Guidance literature:

With zinc; In ethanol; acetic acid; for 2h; Ambient temperature;

DOI:10.1248/cpb.38.1513

Reference yield: 88.0%

propyl cyanide (109-74-0) + 2-fluoropyridine (372-48-5) → 2-pyridin-2-yl-butyronitrile (13427-10-6)

Guidance literature:

With potassium hexamethylsilazane; In toluene; at 0 - 20 ℃;

DOI:10.1021/jo051737f

Reference yield: 82.0%

pyridine-2-acetonitrile (2739-97-1) + ethanol (64-17-5) → 2-pyridin-2-yl-butyronitrile (13427-10-6)

Guidance literature:

With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate; In toluene; at 135 ℃; for 4h; Inert atmosphere;

DOI:10.1021/acscatal.7b01427

upstream raw materials:

α-Ethyl-α-phenylsulfonyl-2-pyridineacetonitrile

2-pyridin-2-yl-but-2-enenitrile

2-chloropyridine

propyl cyanide