4-(2-Methylphenoxy)benzonitrile

Base Information

• Chemical Name: 4-(2-Methylphenoxy)benzonitrile
• CAS No.: 24789-50-2
• Molecular Formula: C14H11NO
• Molecular Weight: 209.247
• DSSTox Substance ID: DTXSID701304945
• Nikkaji Number: J1.650.575G
• Mol file: 24789-50-2.mol

Synonyms:4-(2-methylphenoxy)benzonitrile;24789-50-2;4-(o-Tolyloxy)benzonitrile;SCHEMBL11602546;DTXSID701304945;Benzonitrile, 4-(2-methylphenoxy)-;AKOS000222180;BS-32176;JR-13419, 4-(o-Tolyloxy)benzonitrile

Chemical Property of 4-(2-Methylphenoxy)benzonitrile

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 209.084063974
• Heavy Atom Count: 16
• Complexity: 259

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1OC2=CC=C(C=C2)C#N

Technology Process of 4-(2-Methylphenoxy)benzonitrile

There total 4 articles about 4-(2-Methylphenoxy)benzonitrile 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: 98.0%

4-Cyanochlorobenzene (623-03-0) + ortho-cresol (95-48-7,77504-84-8) → 4-(2-methylphenoxy)benzonitrile (24789-50-2)

Guidance literature:

With di-tert-butyl{2′-isopropoxy-[1,1′-binaphthalen]-2-yl}phosphane; potassium phosphate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In toluene; at 110 ℃; for 18h; Inert atmosphere;

DOI:10.1016/j.tet.2015.05.104

Reference yield: 98.0%

4-bromobenzenecarbonitrile (623-00-7) + ortho-cresol (95-48-7,77504-84-8) → 4-(2-methylphenoxy)benzonitrile (24789-50-2)

Guidance literature:

With potassium phosphate; 2-((di-adamantan-1-yl)phosphaneyl)-1-(2,6-diisopropylphenyl)-1H-imidazole; palladium diacetate; In toluene; at 100 ℃; for 10h; Inert atmosphere;

DOI:10.1039/b915249k

Reference yield: 43.0%

4-iodobenzonitrile (3058-39-7) + ortho-cresol (95-48-7,77504-84-8) → 4-(2-methylphenoxy)benzonitrile (24789-50-2)

Guidance literature:

With L-valine; cobalt(II) diacetate tetrahydrate; caesium carbonate; zinc; In acetonitrile; at 135 ℃; for 48h; Inert atmosphere; Green chemistry;

DOI:10.1007/s00706-018-2324-6

upstream raw materials:

4-bromobenzenecarbonitrile

ortho-cresol

4-Cyanochlorobenzene

4-iodobenzonitrile

Downstream raw materials:

4-Aminocarbonylphenoxy-phenyl methane