4,4'-[1,2-Phenylenebis(oxymethylene)]dibenzonitrile

Base Information

• Chemical Name: 4,4'-[1,2-Phenylenebis(oxymethylene)]dibenzonitrile
• CAS No.: 118499-73-3
• Molecular Formula: C22H16N2O2
• Molecular Weight: 340.381
• DSSTox Substance ID: DTXSID30556126
• NSC Number: 727343
• Wikidata: Q82437608
• Mol file: 118499-73-3.mol

Synonyms:118499-73-3;4,4'-[1,2-Phenylenebis(oxymethylene)]dibenzonitrile;DTXSID30556126;NSC727343;NSC-727343;4,2-phenylenebis(oxymethylene)]bisbenzonitrile

Chemical Property of 4,4'-[1,2-Phenylenebis(oxymethylene)]dibenzonitrile

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 340.121177757
• Heavy Atom Count: 26
• Complexity: 467

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)OCC2=CC=C(C=C2)C#N)OCC3=CC=C(C=C3)C#N

Technology Process of 4,4'-[1,2-Phenylenebis(oxymethylene)]dibenzonitrile

There total 1 articles about 4,4'-[1,2-Phenylenebis(oxymethylene)]dibenzonitrile 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: 70.0%

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) + 4-cyanobenzyl bromide (17201-43-3) → 1,2-Bis(4-cyanobenzyloxy)benzene (118499-73-3)

Guidance literature:

With potassium carbonate; In acetone; for 8h; Heating;

Reference yield: 90.0%

1,2-Bis(4-cyanobenzyloxy)benzene (118499-73-3) → 1,2-Bis(4-amidoximinobenzyloxy)benzene (118499-79-9)

Guidance literature:

With pyridine; hydroxylamine hydrochloride; sodium carbonate; In ethanol; at 100 ℃; for 5h;

Reference yield:

1,2-Bis(4-cyanobenzyloxy)benzene (118499-73-3) → C22H22N4O2

Guidance literature:

1,2-Bis(4-cyanobenzyloxy)benzene; With hydrogenchloride; In ethanol; dichloromethane; at 20 ℃; for 96h;

With ammonia; In ethanol; for 2h; Heating;

DOI:10.1016/j.bmcl.2004.06.034

upstream raw materials:

benzene-1,2-diol

4-cyanobenzyl bromide

Downstream raw materials:

1,2-Bis(4-amidoximinobenzyloxy)benzene

1,2-Bis(4-amidinobenzyloxy)benzene dihydrochloride