Acetonitrile, (8-methyl-8-azabicyclo[3.2.1]oct-3-ylidene)-

Base Information

• Chemical Name: Acetonitrile, (8-methyl-8-azabicyclo[3.2.1]oct-3-ylidene)-
• CAS No.: 91817-61-7
• Molecular Formula: C10H14N2
• Molecular Weight: 162.23200
• DSSTox Substance ID: DTXSID90596689

Synonyms:91817-61-7;Acetonitrile, (8-methyl-8-azabicyclo[3.2.1]oct-3-ylidene)-;2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetonitrile;SCHEMBL9048142;DTXSID90596689;BEMIIPSHLWBOLS-UHFFFAOYSA-N;AKOS010969071;3-cyanomethylene-8-methyl-8-azabicyclo[3.2.1]octane;(8-Methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetonitrile

Chemical Property of Acetonitrile, (8-methyl-8-azabicyclo[3.2.1]oct-3-ylidene)-

Chemical Property:

• PSA: 27.03000
• LogP: 1.63088
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.115698455
• Heavy Atom Count: 12
• Complexity: 242

Purity/Quality:

2-(8-methyl-8-azabicyclo[3.2.1]oct-3-ylidene)-Acetonitrile 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2CCC1CC(=CC#N)C2

Technology Process of Acetonitrile, (8-methyl-8-azabicyclo[3.2.1]oct-3-ylidene)-

There total 2 articles about Acetonitrile, (8-methyl-8-azabicyclo[3.2.1]oct-3-ylidene)- 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: 80.7%

diethyl 1-cyanomethylphosphonate (2537-48-6) + tropinone (532-24-1) → 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetonitrile (91817-61-7)

Guidance literature:

diethyl 1-cyanomethylphosphonate; With sodium hydride; In tetrahydrofuran; mineral oil; at 20 ℃; for 0.25h; Inert atmosphere;

tropinone; In tetrahydrofuran; mineral oil; at 60 ℃; for 2h; Inert atmosphere;

DOI:10.1039/c9cc01330j

Reference yield:

→ 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetonitrile (91817-61-7)

Guidance literature:

Tropinon, Cyanessigsaeure, NH4OAc (in sd. Bzl., 90 min);

upstream raw materials:

diethyl 1-cyanomethylphosphonate

tropinone

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