2-Cyano-alpha-(2-cyano-5-methoxyphenyl)-5-methoxybenzenepropanenitrile

Base Information

• Chemical Name: 2-Cyano-alpha-(2-cyano-5-methoxyphenyl)-5-methoxybenzenepropanenitrile
• CAS No.: 76519-92-1
• Molecular Formula: C₁₉H₁₅N₃O₂
• Molecular Weight: 317.347
• DSSTox Substance ID: DTXSID701166606
• Mol file: 76519-92-1.mol

Synonyms:DTXSID701166606;2-Cyano-alpha-(2-cyano-5-methoxyphenyl)-5-methoxybenzenepropanenitrile;76519-92-1

Chemical Property of 2-Cyano-alpha-(2-cyano-5-methoxyphenyl)-5-methoxybenzenepropanenitrile

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 317.116426730
• Heavy Atom Count: 24
• Complexity: 563

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)C#N)CC(C#N)C2=C(C=CC(=C2)OC)C#N

Technology Process of 2-Cyano-alpha-(2-cyano-5-methoxyphenyl)-5-methoxybenzenepropanenitrile

There total 1 articles about 2-Cyano-alpha-(2-cyano-5-methoxyphenyl)-5-methoxybenzenepropanenitrile 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: 7.4%

2-(bromomethyl)-4-methoxybenzonitrile (28970-91-4) + sodium cyanide (143-33-9,25596-52-5) → 2,3-bis(2-cyano-5-methoxyphenyl)propionitrile (76519-92-1) + 2-cyano-1,2,3-tris(2-cyano-5-methoxyphenyl)propane

Guidance literature:

With sodium iodide; In acetone; for 24h; Heating;

DOI:10.1246/bcsj.53.2885

upstream raw materials:

2-(bromomethyl)-4-methoxybenzonitrile

sodium cyanide