2-Pyridin-3-ylpropanenitrile

Base Information

• Chemical Name: 2-Pyridin-3-ylpropanenitrile
• CAS No.: 163359-11-3
• Molecular Formula: C₈H₈N₂
• Molecular Weight: 132.165
• European Community (EC) Number: 969-118-6
• Nikkaji Number: J665.605F
• Mol file: 163359-11-3.mol

Synonyms:2-pyridin-3-ylpropanenitrile;163359-11-3;3-Pyridineacetonitrile,alpha-methyl-(9CI);2-(pyridin-3-yl)propanenitrile;SCHEMBL9314550;AKOS009459971;EN300-77879

Chemical Property of 2-Pyridin-3-ylpropanenitrile

Chemical Property:

• XLogP3: 1.1
• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Pyridin-3-ylpropanenitrile

There total 19 articles about 2-Pyridin-3-ylpropanenitrile 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: 91.0%

3-vinylpyridine (1121-55-7) + 1-isopropylcyclohexa-2,5-diene-1-carbonitrile → 2-(pyridin-3-yl)propanenitrile (163359-11-3)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In benzene; at 90 ℃; for 18h; regioselective reaction; Schlenk technique; Inert atmosphere; Glovebox;

DOI:10.1021/acs.orglett.0c01454

Reference yield: 83.0%

→ 2-(pyridin-3-yl)propanenitrile (163359-11-3)

Guidance literature:

With nickel(II) chloride hexahydrate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; zinc; In 1,4-dioxane; water; at 80 ℃; for 4h; Glovebox; Inert atmosphere;

Reference yield: 82.0%

trimethylsilyl cyanide (7677-24-9) + 1-(pyridin-3-yl)ethyl 3,5-bis(trifluoromethyl)benzoate → 2-(pyridin-3-yl)propanenitrile (163359-11-3) + 2-(pyridin-3-yl)propanenitrile (163359-11-3)

Guidance literature:

With (3aR,3a’R,8aS,8a’S)-2,2’-(cyclopropane-1,1-diyl)bis(3a,8a-dihydro-8H-indeno[1,2-d]-oxazole); tetrakis(acetonitrile)copper(I)tetrafluoroborate; 10-phenyl-10H-phenothiazine; In para-xylene; N,N-dimethyl-formamide; at 20 ℃; for 24h; enantioselective reaction; Inert atmosphere; Schlenk technique; Sealed tube; Irradiation;

DOI:10.1002/cjoc.202000309

upstream raw materials:

sodium cyanide

3-Fluoropyridine

propiononitrile

3-pyridinylacetonitrile