Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile, 6-methoxy-

Base Information

• Chemical Name: Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile, 6-methoxy-
• CAS No.: 62115-70-2
• Molecular Formula: C₁₀H₁₁NO
• Molecular Weight: 161.203
• DSSTox Substance ID: DTXSID00485838
• Mol file: 62115-70-2.mol

Synonyms:62115-70-2;Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile, 6-methoxy-;DTXSID00485838

Chemical Property of Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile, 6-methoxy-

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 161.084063974
• Heavy Atom Count: 12
• Complexity: 296

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC12C=CC=CC1CC2C#N

Technology Process of Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile, 6-methoxy-

There total 2 articles about Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile, 6-methoxy- 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:

methoxybenzene (100-66-3) + acrylonitrile (107-13-1,25014-41-9) → 6-Methoxy-bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile (62115-70-2) + 1-Methoxy-bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile + C20H18N2O3

Guidance literature:

In cyclohexane; at 20 ℃; for 24h; Title compound not separated from byproducts; Irradiation;

DOI:10.1016/S0040-4020(01)92375-0

Reference yield:

methoxybenzene (100-66-3) + acrylonitrile (107-13-1,25014-41-9) → 2-(4-methoxyphenyl)propionitrile (31007-06-4) + 6-Methoxy-bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile (62115-70-2)

Guidance literature:

In methanol; at 20 - 25 ℃; Product distribution; Irradiation; different solvents;

upstream raw materials:

methoxybenzene

acrylonitrile