N-(2,6-Dichlorophenyl)-2-(methylsulfanyl)-N-phenylacetamide

Base Information

• Chemical Name: N-(2,6-Dichlorophenyl)-2-(methylsulfanyl)-N-phenylacetamide
• CAS No.: 83281-93-0
• Molecular Formula: C15H13Cl2NOS
• Molecular Weight: 326.246
• DSSTox Substance ID: DTXSID30532849
• Wikidata: Q82405770
• Mol file: 83281-93-0.mol

Synonyms:83281-93-0;SCHEMBL11224556;DTXSID30532849;N-(2,6-Dichlorophenyl)-2-(methylsulfanyl)-N-phenylacetamide

Chemical Property of N-(2,6-Dichlorophenyl)-2-(methylsulfanyl)-N-phenylacetamide

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 325.0094906
• Heavy Atom Count: 20
• Complexity: 313

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCC(=O)N(C1=CC=CC=C1)C2=C(C=CC=C2Cl)Cl

Technology Process of N-(2,6-Dichlorophenyl)-2-(methylsulfanyl)-N-phenylacetamide

There total 1 articles about N-(2,6-Dichlorophenyl)-2-(methylsulfanyl)-N-phenylacetamide 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:

(methylthio)acetyl chloride (35928-65-5) + N-phenyl-2,6-dichloroaniline (15307-93-4) → N-(2,6-dichlorophenyl)-α-(methylthio)acetanilide (83281-93-0)

Guidance literature:

In benzene; for 6h; Yield given; Heating;

DOI:10.1248/cpb.32.1995

Reference yield: 91.0%

N-(2,6-dichlorophenyl)-α-(methylthio)acetanilide (83281-93-0) → N-(2,6-dichlorophenyl)-α-(methylsulfinyl)acetanilide (83281-96-3)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 1h; Ambient temperature;

DOI:10.1248/cpb.32.1995

Reference yield:

N-(2,6-dichlorophenyl)-α-(methylthio)acetanilide (83281-93-0) → diclofenac sodium (15307-79-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 91 percent / m-chloroperbenzoic acid / CH₂Cl₂ / 1 h / Ambient temperature

2: 84 percent / p-toluenesulfonic acid / benzene / 0.5 h / Heating

3: 97 percent / Zn / acetic acid / 4 h / Heating

4: 85 percent / 20percent NaOH / ethanol / 3 h / Heating

With sodium hydroxide; 3-chloro-benzenecarboperoxoic acid; zinc; toluene-4-sulfonic acid; In ethanol; dichloromethane; acetic acid; benzene;

DOI:10.1248/cpb.32.1995

upstream raw materials:

(methylthio)acetyl chloride

N-phenyl-2,6-dichloroaniline

Downstream raw materials:

N-(2,6-dichlorophenyl)-α-(methylsulfinyl)acetanilide

1-(2,6-dichlorophenyl)indolin-2-one

[2-(2,6-dichloroanilino)phenyl]acetic acid

diclofenac sodium