1-[(Bicyclo[2.2.2]octan-2-ylidene)methyl]pyrrolidine

Base Information

• Chemical Name: 1-[(Bicyclo[2.2.2]octan-2-ylidene)methyl]pyrrolidine
• CAS No.: 111036-01-2
• Molecular Formula: C13H21N
• DSSTox Substance ID: DTXSID80708759
• Mol file: 111036-01-2.mol

Synonyms:111036-01-2;SCHEMBL9334058;1-[(Bicyclo[2.2.2]octan-2-ylidene)methyl]pyrrolidine;DTXSID80708759

Chemical Property of 1-[(Bicyclo[2.2.2]octan-2-ylidene)methyl]pyrrolidine

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 191.167399674
• Heavy Atom Count: 14
• Complexity: 230

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C=C2CC3CCC2CC3

Technology Process of 1-[(Bicyclo[2.2.2]octan-2-ylidene)methyl]pyrrolidine

There total 2 articles about 1-[(Bicyclo[2.2.2]octan-2-ylidene)methyl]pyrrolidine 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: 95.0%

pyrrolidine (123-75-1) + bicyclo<2.2.2>octane-2-carboxaldehyde (62028-29-9) → 2-(pyrrolidinomethylene)-bicyclo<2.2.2>octane (111036-01-2)

Guidance literature:

In benzene; for 14h; Heating;

Reference yield:

bicyclo[2.2.2]oct-5-ene-2-carbaldehyde (38259-00-6,40570-95-4,57287-40-8,57287-44-2,61949-97-1,128441-67-8) → 2-(pyrrolidinomethylene)-bicyclo<2.2.2>octane (111036-01-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / H₂ / 10percent Pd/C / ethyl acetate / 1 h / 2584 Torr

2: 95 percent / benzene / 14 h / Heating

With hydrogen; palladium on activated charcoal; In ethyl acetate; benzene;

upstream raw materials:

pyrrolidine

bicyclo<2.2.2>octane-2-carboxaldehyde

bicyclo[2.2.2]oct-5-ene-2-carbaldehyde