N-(4-chlorophenyl)-2,6-difluorobenzamide

Base Information

• Chemical Name: N-(4-chlorophenyl)-2,6-difluorobenzamide
• CAS No.: 122987-01-3
• Molecular Formula: C13H8ClF2NO
• Molecular Weight: 267.662
• DSSTox Substance ID: DTXSID60368673
• Wikidata: Q82155401
• Mol file: 122987-01-3.mol

Synonyms:N-(4-chlorophenyl)-2,6-difluorobenzamide;122987-01-3;Benzamide, N-(4-chlorophenyl)-2,6-difluoro-;Benzamide, N-(4-chlorophenyl)-2,6-difluoro;DTXSID60368673;BCP34459;XEA98701;MFCD04804687;STK484238;AKOS003395907;AS-65669;Z28161875

Chemical Property of N-(4-chlorophenyl)-2,6-difluorobenzamide

Chemical Property:

• Melting Point: 147 - 148°C
• PSA: 29.10000
• LogP: 3.94350
• Storage Temp.: Room Temperature, under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 267.0262479
• Heavy Atom Count: 18
• Complexity: 285

Purity/Quality:

≥99.0% ^*data from raw suppliers

N-(4-Chlorophenyl)-2,6-difluorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)C(=O)NC2=CC=C(C=C2)Cl)F

Technology Process of N-(4-chlorophenyl)-2,6-difluorobenzamide

There total 3 articles about N-(4-chlorophenyl)-2,6-difluorobenzamide 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:

2,6-difluorobenzoylchloride (18063-02-0) + N-(4-chlorophenyl)urea (140-38-5) → 1-(4-chlorophenyl)-3-(2,6-difluorobenzoyl)urea (35367-38-5,66594-18-1) + N-(4-chlorophenyl)-2,6-difluorobenzamide (122987-01-3)

Guidance literature:

In toluene; for 7h; Heating;

Reference yield:

4-chloro-aniline (106-47-8) + 2,6-difluorobenzoylchloride (18063-02-0) → N-(4-chlorophenyl)-2,6-difluorobenzamide (122987-01-3)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 12h; Sealed tube;

DOI:10.1021/ol400437a

Reference yield:

2,6-difluorobenzoic acid (385-00-2) → N-(4-chlorophenyl)-2,6-difluorobenzamide (122987-01-3)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / 5 h / Reflux; Sealed tube

2: triethylamine / dichloromethane / 12 h / 20 °C / Sealed tube

With thionyl chloride; triethylamine; In dichloromethane;

DOI:10.1021/ol400437a

upstream raw materials:

2,6-difluorobenzoylchloride

N-(4-chlorophenyl)urea

2,6-difluorobenzoic acid

4-chloro-aniline

Refernces

• 1、 Kavalek, Jaromir,Kacetl, Lubomir,Kavalkova, Marcela. "KINETICS OF METHANOLYSIS OF 1-(2-HALOGENO AND 2,6-DIHALOGENOBENZOYL)-3-(4-CHLOROPHENYL)UREAS". . p. 1363 - 1369. Retrieved 2007/10/02.