4-(2,4-Dichlorophenoxy)benzonitrile

Base Information

• Chemical Name: 4-(2,4-Dichlorophenoxy)benzonitrile
• CAS No.: 24789-52-4
• Molecular Formula: C₁₃H₇Cl₂NO
• Molecular Weight: 264.111
• DSSTox Substance ID: DTXSID80363428
• Wikidata: Q82147120
• Mol file: 24789-52-4.mol

Synonyms:4-(2,4-dichlorophenoxy)benzonitrile;24789-52-4;4-(2,4-dichlorophenoxy)benzenecarbonitrile;Benzonitrile, 4-(2,4-dichlorophenoxy)-;Bionet2_000452;Oprea1_047509;SCHEMBL11649803;DTXSID80363428;HMS1365E12;MFCD01815091;AKOS005083252;1P-033

Chemical Property of 4-(2,4-Dichlorophenoxy)benzonitrile

Chemical Property:

• PSA: 33.02000
• LogP: 4.65738
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 262.9904692
• Heavy Atom Count: 17
• Complexity: 293

Purity/Quality:

99% ^*data from raw suppliers

4-(2,4-Dichlorophenoxy)benzenecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C#N)OC2=C(C=C(C=C2)Cl)Cl

Technology Process of 4-(2,4-Dichlorophenoxy)benzonitrile

There total 2 articles about 4-(2,4-Dichlorophenoxy)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:

4-fluorobenzaldehyde (459-57-4) → 4-(2,4-Dichlorphenoxy)-benzonitril (24789-52-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: ammonium hydroxide / tetrahydrofuran / 20 °C

1.2: 20 °C

2.1: potassium carbonate / dimethyl sulfoxide / Microwave irradiation

With ammonium hydroxide; potassium carbonate; In tetrahydrofuran; dimethyl sulfoxide;

DOI:10.1021/acsmedchemlett.5b00367

Reference yield:

4-fluorobenzonitrile (1194-02-1,143234-87-1) + 2,4-dichlorophenol (120-83-2,40477-79-0) → 4-(2,4-Dichlorphenoxy)-benzonitril (24789-52-4)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; Microwave irradiation;

DOI:10.1021/acsmedchemlett.5b00367

Reference yield:

4-(2,4-Dichlorphenoxy)-benzonitril (24789-52-4) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → 6-(4-(2,4-dichlorophenoxy)phenyl)-1,3,5-triazine-2,4-diamine

Guidance literature:

With potassium hydroxide; In ethanol;

DOI:10.1021/acsmedchemlett.5b00367

upstream raw materials:

4-fluorobenzonitrile

2,4-dichlorophenol

4-fluorobenzaldehyde

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