4-[2-Chloro-4-(trifluoromethyl)phenoxy]aniline

Base Information

• Chemical Name: 4-[2-Chloro-4-(trifluoromethyl)phenoxy]aniline
• CAS No.: 55407-28-8
• Molecular Formula: C13H9ClF3NO
• Molecular Weight: 287.669
• DSSTox Substance ID: DTXSID20440484
• Wikidata: Q82256807

Synonyms:4-[2-chloro-4-(trifluoromethyl)phenoxy]aniline;55407-28-8;SCHEMBL9582439;Benzenamine, 4-[2-chloro-4-(trifluoromethyl)phenoxy]-;DTXSID20440484;4-(2-chloro-4-trifluoromethyl-phenoxy)-aniline

Chemical Property of 4-[2-Chloro-4-(trifluoromethyl)phenoxy]aniline

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 287.0324761
• Heavy Atom Count: 19
• Complexity: 292

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N)OC2=C(C=C(C=C2)C(F)(F)F)Cl

Technology Process of 4-[2-Chloro-4-(trifluoromethyl)phenoxy]aniline

There total 6 articles about 4-[2-Chloro-4-(trifluoromethyl)phenoxy]aniline 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: 71.0%

4-amino-phenol (123-30-8) + 3-chloro-4-fluoro benzotrifluoride (78068-85-6) → p-[(2-chloro-α,α,α-trifluoro-p-tolyl)oxy]aniline (55407-28-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 66h;

DOI:10.1021/jo00043a044

Reference yield:

m-chloro-α,α,α,3,4-pentafluorotoluene + 4-amino-phenol (123-30-8) → p-[(2-chloro-α,α,α-trifluoro-p-tolyl)oxy]aniline (55407-28-8) + p-<(2-chloro-α,α,α,6-tetrafluoro-p-tolyl)oxy>aniline (138937-56-1)

Guidance literature:

With potassium carbonate; In water; acetonitrile;

Reference yield:

nitro 4-[2-chloro-4-(trifluoromethyl)-phenoxy] benzene (42874-01-1) → p-[(2-chloro-α,α,α-trifluoro-p-tolyl)oxy]aniline (55407-28-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In dichloromethane; at 20 ℃;

DOI:10.1039/c5nj00215j

upstream raw materials:

4-amino-phenol

3-chloro-4-fluoro benzotrifluoride

nitro 4-[2-chloro-4-(trifluoromethyl)-phenoxy] benzene

4-Fluoronitrobenzene

Downstream raw materials:

5-<(2-chloro-α,α,α-trifluoro-p-tolyl)oxy>-3-methyl-indolin-2-one

5-<(2-chloro-α,α,α-trifluoro-p-tolyl)oxy>-3-(methylthio)-indolin-2-one

1-allyl-5-<(2-chloro-α,α,α-trifluoro-p-tolyl)oxy>-3-methylindolin-2-one

5-<(2-chloro-α,α,α-trifluoro-p-tolyl)oxy>-2-isopropoxy-3-(methylthio)indole

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