(2-Benzoyl-4-chlorophenoxy)acetonitrile

Base Information

• Chemical Name: (2-Benzoyl-4-chlorophenoxy)acetonitrile
• CAS No.: 58430-11-8
• Molecular Formula: C15H10ClNO2
• Molecular Weight: 271.703
• DSSTox Substance ID: DTXSID10529439
• Wikidata: Q82399859

Synonyms:58430-11-8;(2-Benzoyl-4-chlorophenoxy)acetonitrile;DTXSID10529439

Chemical Property of (2-Benzoyl-4-chlorophenoxy)acetonitrile

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 271.0400063
• Heavy Atom Count: 19
• Complexity: 356

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2-Benzoyl-4-chlorophenoxy)acetonitrile

There total 2 articles about (2-Benzoyl-4-chlorophenoxy)acetonitrile 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%

(5-chloro-2-hydroxyphenyl)phenylmethanone (85-19-8) + chloroacetonitrile (107-14-2) → (2-benzoyl-4-chlorophenoxy)ethanenitrile (58430-11-8)

Guidance literature:

With potassium carbonate; sodium iodide; In acetone; for 8h; Reflux;

DOI:10.1111/j.1747-0285.2009.00932.x

Reference yield:

→ (2-benzoyl-4-chlorophenoxy)ethanenitrile (58430-11-8)

Guidance literature:

5-Chlor-2-hydroxybenzophenon, Bromacetonitril, K2CO3;

Reference yield: 90.0%

(2-benzoyl-4-chlorophenoxy)ethanenitrile (58430-11-8) + ethylene glycol (107-21-1) → <4-chloro-2-(2-phenyl<1,3>dioxolan-2-yl)phenoxy>acetonitrile (89718-92-3)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 7.5h; Heating;

upstream raw materials:

(5-chloro-2-hydroxyphenyl)phenylmethanone

chloroacetonitrile

Downstream raw materials:

<4-chloro-2-(2-phenyl<1,3>dioxolan-2-yl)phenoxy>acetonitrile

2-(2-aminoethoxy)-5-chlorobenzophenone

2-[4-Chloro-2-(2-phenyl-[1,3]dioxolan-2-yl)-phenoxy]-ethylamine

7-chloro-5-phenyl-2,3-dihydrobenzo[f][1,4]oxazepine

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