4,4'-[1,4-Phenylenebis(methyleneoxy)]dibenzonitrile

Base Information

• Chemical Name: 4,4'-[1,4-Phenylenebis(methyleneoxy)]dibenzonitrile
• CAS No.: 53658-03-0
• Molecular Formula: C22H16N2O2
• Molecular Weight: 340.381
• DSSTox Substance ID: DTXSID10556129
• NSC Number: 727340
• Wikidata: Q82437611

Synonyms:53658-03-0;C22H16N2O2;4,4'-[1,4-Phenylenebis(methyleneoxy)]dibenzonitrile;DTXSID10556129;NSC727340;NSC-727340;4,4-phenylenebis(methyleneoxy)]bisbenzonitrile

Chemical Property of 4,4'-[1,4-Phenylenebis(methyleneoxy)]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: 459

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1COC2=CC=C(C=C2)C#N)COC3=CC=C(C=C3)C#N

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

There total 3 articles about 4,4'-[1,4-Phenylenebis(methyleneoxy)]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: 97.0%

1,4-bis(bromomethyl)benzene (623-24-5) + 4-cyanophenol (767-00-0) → 4,4′-((1,4-phenylenebis(methylene))bis(oxy))dibenzonitrile (53658-03-0)

Guidance literature:

4-cyanophenol; With sodium hydride; lithium hexamethyldisilazane; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; Inert atmosphere; Cooling with ice;

1,4-bis(bromomethyl)benzene; In N,N-dimethyl-formamide; mineral oil; at 0 - 80 ℃; for 1h;

DOI:10.1021/acsinfecdis.1c00466

Reference yield: 78.0%

→ 4,4′-((1,4-phenylenebis(methylene))bis(oxy))dibenzonitrile (53658-03-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 45 ℃; for 4h;

Reference yield:

1,4-bis(bromomethyl)benzene (623-24-5) + sodium 4-cyanophenolate (3328-57-2) → 4,4′-((1,4-phenylenebis(methylene))bis(oxy))dibenzonitrile (53658-03-0)

Guidance literature:

With ethanol;

upstream raw materials:

1,4-bis(bromomethyl)benzene

sodium 4-cyanophenolate

4-cyanophenol

Downstream raw materials:

1,4-Bis(4-amidoximinophenoxymethyl)benzene

1,4-bis{(4-amidino)-phenoxymethyl}benzene dihydrochloride

4,4′-((1,4-phenylenebis(methylene))bis(oxy))dibenzimidamide

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