2-[3-(Trifluoromethyl)anilino]benzoyl chloride

Base Information

• Chemical Name: 2-[3-(Trifluoromethyl)anilino]benzoyl chloride
• CAS No.: 38866-44-3
• Molecular Formula: C14H9ClF3NO
• Molecular Weight: 299.68
• DSSTox Substance ID: DTXSID00530493
• Wikidata: Q82401655
• Mol file: 38866-44-3.mol

Synonyms:2-[3-(Trifluoromethyl)anilino]benzoyl chloride;38866-44-3;SCHEMBL9522037;DTXSID00530493;2-(3-trifluoromethylphenylamino)-benzoyl chloride;2-((3-(trifluoromethyl)phenyl)amino)benzoyl chloride

Chemical Property of 2-[3-(Trifluoromethyl)anilino]benzoyl chloride

Chemical Property:

• XLogP3: 6.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 299.0324761
• Heavy Atom Count: 20
• Complexity: 348

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-[3-(Trifluoromethyl)anilino]benzoyl chloride

There total 2 articles about 2-[3-(Trifluoromethyl)anilino]benzoyl chloride 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:

flufenamic acid (530-78-9) → N-(α,α,α-Trifluor-m-tolyl)anthraniloylchlorid (38866-44-3)

Guidance literature:

With thionyl chloride; In dichloromethane; for 3h; Inert atmosphere; Reflux;

DOI:10.1002/cmdc.202000084

Reference yield:

→ N-(α,α,α-Trifluor-m-tolyl)anthraniloylchlorid (38866-44-3)

Guidance literature:

entspr.Saeure, SOCl2;

Reference yield: 88.0%

N-(α,α,α-Trifluor-m-tolyl)anthraniloylchlorid (38866-44-3) + thiophenol (108-98-5) → S-phenyl 2-((3-(trifluoromethyl)phenyl)amino)benzothioate

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 0 - 20 ℃; for 15h;

DOI:10.1039/c8cc00271a

upstream raw materials:

flufenamic acid

Downstream raw materials:

N-(2-(4-ethylphenylamino)benzo[d]oxazol-5-yl)-2-(3-(trifluoromethyl)phenylamino)benzamide

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