1-(3-Cyanopropyl)pyridinium chloride

Base Information

• Chemical Name: 1-(3-Cyanopropyl)pyridinium chloride
• CAS No.: 820972-34-7
• Molecular Formula: C₉H₁₁N₂*Cl
• Molecular Weight: 182.653
• European Community (EC) Number: 689-601-2
• DSSTox Substance ID: DTXSID30583391
• Mol file: 820972-34-7.mol

Synonyms:1-(3-Cyanopropyl)pyridinium chloride;820972-34-7;1-(3-Cyanopropyl)pyridin-1-ium chloride;4-pyridin-1-ium-1-ylbutanenitrile;chloride;SCHEMBL2230144;DTXSID30583391

Chemical Property of 1-(3-Cyanopropyl)pyridinium chloride

Chemical Property:

• Melting Point: 130-135 °C
• PSA: 27.67000
• LogP: -1.71812
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 182.0610761
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

98%Min ^*data from raw suppliers

1-(3-Cyanopropyl)pyridinium chloride ≥98.5% (T) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/22-36/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=[N+](C=C1)CCCC#N.[Cl-]

Technology Process of 1-(3-Cyanopropyl)pyridinium chloride

There total 1 articles about 1-(3-Cyanopropyl)pyridinium chloride 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: 92.0%

pyridine (110-86-1) + 4-Chlorobutyronitrile (628-20-6) → 4-butyronitrilepyridinium chloride (820972-34-7)

Guidance literature:

at 80 ℃; for 24h;

DOI:10.1021/ja0463482

Reference yield:

bis(trifluoromethane)sulfonimide lithium (90076-65-6) + 4-butyronitrilepyridinium chloride (820972-34-7) → N-butyronitrile-pyridinium bis(trifluoromethylsulfonyl)imide (820972-37-0)

Guidance literature:

DOI:10.1055/s-2006-944198

upstream raw materials:

pyridine

4-Chlorobutyronitrile

Downstream raw materials:

N-butyronitrile-pyridinium bis(trifluoromethylsulfonyl)imide