1-Benzyl-3,5-di(pyrrolidine-1-carbonyl)pyridin-1-ium chloride

Base Information

• Chemical Name: 1-Benzyl-3,5-di(pyrrolidine-1-carbonyl)pyridin-1-ium chloride
• CAS No.: 138965-40-9
• Molecular Formula: C22H26N3O2.Cl
• Molecular Weight: 399.92
• DSSTox Substance ID: DTXSID60576054

Synonyms:138965-40-9;DTXSID60576054;1-Benzyl-3,5-di(pyrrolidine-1-carbonyl)pyridin-1-ium chloride

Chemical Property of 1-Benzyl-3,5-di(pyrrolidine-1-carbonyl)pyridin-1-ium chloride

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 399.1713548
• Heavy Atom Count: 28
• Complexity: 484

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C(=O)C2=CC(=C[N+](=C2)CC3=CC=CC=C3)C(=O)N4CCCC4.[Cl-]

Technology Process of 1-Benzyl-3,5-di(pyrrolidine-1-carbonyl)pyridin-1-ium chloride

There total 2 articles about 1-Benzyl-3,5-di(pyrrolidine-1-carbonyl)pyridin-1-ium 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: 98.0%

1-Benzyl-3,5-bis(1-pyrrolidinylcarbonyl)-1,4-dihydropyridine (91620-72-3) → 1-Benzyl-3,5-bis(1-pyrrolidinylcarbonyl)pyridinium chloride (138965-40-9)

Guidance literature:

With zinc(II) perchlorate; oxygen; In acetonitrile; at 25 ℃; under 760 Torr; other bivalent metal ions;

Reference yield:

pyrrolidine (123-75-1) + pyridine-3,5-dicarbonyl dichloride (15074-61-0) + benzyl chloride (100-44-7) → 1-Benzyl-3,5-bis(1-pyrrolidinylcarbonyl)pyridinium chloride (138965-40-9)

Guidance literature:

Multistep reaction; 1.) chloroform, 2.) acetonitrile, reflux;

DOI:10.1246/bcsj.59.3117

Reference yield:

1-Benzyl-3,5-bis(1-pyrrolidinylcarbonyl)pyridinium chloride (138965-40-9) → 1-Benzyl-3,5-bis(1-pyrrolidinylcarbonyl)-1,4-dihydropyridine (91620-72-3)

Guidance literature:

With sodium dithionite; In water; Yield given;

DOI:10.1246/bcsj.59.3117

upstream raw materials:

pyrrolidine

pyridine-3,5-dicarbonyl dichloride

benzyl chloride

1-Benzyl-3,5-bis(1-pyrrolidinylcarbonyl)-1,4-dihydropyridine

Downstream raw materials:

1-Benzyl-3,5-bis(1-pyrrolidinylcarbonyl)-1,4-dihydropyridine

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