3-Azabicyclo(3.3.1)nonane, 3-(2-(1-methylpyrrolidinio)ethyl)-, iodide

Base Information

• Chemical Name: 3-Azabicyclo(3.3.1)nonane, 3-(2-(1-methylpyrrolidinio)ethyl)-, iodide
• CAS No.: 63886-40-8
• Molecular Formula: C₁₅H₂₉N₂*I
• Molecular Weight: 364.313
• DSSTox Substance ID: DTXSID90980761

Synonyms:3-Azabicyclo(3.3.1)nonane, 3-(2-(1-methylpyrrolidinio)ethyl)-, iodide;Pyrrolidinium, 1-(2-(3-azabicyclo(3.3.1)non-3-yl)ethyl)-1-methyl-, iodide;63886-40-8;Pyrrolidinium, 1-[2-(3-azabicyclo[3.3.1]non-3-yl)ethyl]-1-methyl-, iodide;DTXSID90980761;C15-H29-N2.I;LS-138261;1-[2-(3-Azabicyclo[3.3.1]nonan-3-yl)ethyl]-1-methylpyrrolidin-1-ium iodide

Chemical Property of 3-Azabicyclo(3.3.1)nonane, 3-(2-(1-methylpyrrolidinio)ethyl)-, iodide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 364.13755
• Heavy Atom Count: 18
• Complexity: 246

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCCC1)CCN2CC3CCCC(C3)C2.[I-]

Technology Process of 3-Azabicyclo(3.3.1)nonane, 3-(2-(1-methylpyrrolidinio)ethyl)-, iodide

There total 2 articles about 3-Azabicyclo(3.3.1)nonane, 3-(2-(1-methylpyrrolidinio)ethyl)-, iodide 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:

3-(2-Chloroethyl)-3-azabicyclo<3.3.1>nonane (87942-52-7) → 1-[2-(3-aza-bicyclo[3.3.1]non-3-yl)-ethyl]-1-methyl-pyrrolidinium; iodide (63886-40-8)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene / 110 °C

2: acetone

With acetone; benzene;

Reference yield:

3-(2-pyrrolidino-ethyl)-3-aza-bicyclo[3.3.1]nonane (100878-94-2) + methyl iodide (74-88-4) → 1-[2-(3-aza-bicyclo[3.3.1]non-3-yl)-ethyl]-1-methyl-pyrrolidinium; iodide (63886-40-8)

Guidance literature:

With acetone;

upstream raw materials:

3-(2-pyrrolidino-ethyl)-3-aza-bicyclo[3.3.1]nonane

methyl iodide

3-(2-Chloroethyl)-3-azabicyclo<3.3.1>nonane

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