3-Chloro-5-(5-chloro-2-methoxybenzoyl)benzonitrile

Base Information

• Chemical Name: 3-Chloro-5-(5-chloro-2-methoxybenzoyl)benzonitrile
• CAS No.: 329944-63-0
• Molecular Formula: C15H9Cl2NO2
• Molecular Weight: 306.148
• European Community (EC) Number: 608-815-9
• DSSTox Substance ID: DTXSID301229353
• Mol file: 329944-63-0.mol

Synonyms:3-chloro-5-(5-chloro-2-methoxybenzoyl)benzonitrile;329944-63-0;SCHEMBL14201809;DTXSID301229353;AKOS015965513

Chemical Property of 3-Chloro-5-(5-chloro-2-methoxybenzoyl)benzonitrile

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 305.0010339
• Heavy Atom Count: 20
• Complexity: 406

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-Chloro-5-(5-chloro-2-methoxybenzoyl)benzonitrile

There total 9 articles about 3-Chloro-5-(5-chloro-2-methoxybenzoyl)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: 87.0%

3-chloro-5-cyanophenylboronic acid (915763-60-9) + 5-chloro-2-methoxybenzaldehyde (7035-09-8) → 3-chloro-5-(5-chloro-2-methoxybenzoyl)benzonitrile (329944-63-0)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 3h; Catalytic behavior; Irradiation;

DOI:10.1016/j.mcat.2021.111987

Reference yield: 56.0%

(3-bromo-5-chlorophenyl)(5-chloro-2-methoxyphenyl)methanone (329944-59-4) + sodium cyanide (143-33-9,25596-52-5) → 3-chloro-5-(5-chloro-2-methoxybenzoyl)benzonitrile (329944-63-0)

Guidance literature:

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In acetonitrile; for 0.75h; Heating;

DOI:10.1021/jm050670l

Reference yield:

(3-bromo-5-chlorophenyl)(5-chloro-2-methoxyphenyl)methanone (329944-59-4) + dicyanozinc (557-21-1) → 3-chloro-5-(5-chloro-2-methoxybenzoyl)benzonitrile (329944-63-0)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; palladium diacetate; polymethylhydrosiloxane; In water;

DOI:10.1016/j.tetlet.2007.02.018

upstream raw materials:

(3-bromo-5-chlorophenyl)(5-chloro-2-methoxyphenyl)methanone

sodium cyanide

dicyanozinc

5-chloro-N,2-dimethoxy-N-methylbenzamide

Downstream raw materials:

[4-chloro-2-(3-chloro-5-cyano-benzoyl)-phenoxy]-acetic acid ethyl ester

({4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenyl}oxy)acetic acid

[4-chloro-2-(3-chloro-5-cyanobenzoyl)phenoxy]acetyl chloride

3-chloro-5-(5-chloro-2-hydroxybenzoyl)benzonitrile