Benzenamine, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-

Base Information

Chemical Name:Benzenamine, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-
CAS No.:78747-70-3
Molecular Formula:C13H9ClF3NO
Molecular Weight:287.669
Hs Code.:
DSSTox Substance ID:DTXSID90439360
Wikidata:Q82255298

Synonyms:Benzenamine, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-;78747-70-3;SCHEMBL8813323;DTXSID90439360;HDEBLXPRSPLSDN-UHFFFAOYSA-N

Suppliers and Price of Benzenamine, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzenamine, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-

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:300

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Benzenamine, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-

There total 1 articles about Benzenamine, 3-[2-chloro-4-(trifluoromethyl)phenoxy]- 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: 51.0%

: 78068-85-6
3-chloro-4-fluoro benzotrifluoride

: 591-27-5
m-Hydroxyaniline

: 78747-70-3
m-<(2-chloro-α,α,α-trifluoro-p-tolyl)oxy>aniline

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 48h;
DOI:10.1021/jo00043a044

Reference yield:

: 78747-70-3
m-<(2-chloro-α,α,α-trifluoro-p-tolyl)oxy>aniline

: 142721-03-7
6-<(2-chloro-α,α,α-trifluoro-p-tolyl)oxy>-1,3-dimethylindolin-2-one

Guidance literature:: Multi-step reaction with 5 steps

1: 1) chlorine, 2) triethylamine / 1) CH₂Cl₂, -78 deg C, 5-10 min, 2) a) -78 deg C, 1-1.5 h, b) up to RT, 1-2 h

2: 40 percent / p-toluenesulfonic acid / toluene / Heating

3: 1) NaH / 1) DMSO, 20-30 min, 2) DMSO, 1-4 h

4: 1) NaH / 1) DMSO, 20-30 min, 2) DMSO, 1-4 h

5: 84 percent / Raney nickel / ethanol / Ambient temperature

With chlorine; nickel; sodium hydride; triethylamine; toluene-4-sulfonic acid; In ethanol; toluene;
DOI:10.1021/jo00043a044

Reference yield:

: 78747-70-3
m-<(2-chloro-α,α,α-trifluoro-p-tolyl)oxy>aniline

: 142721-04-8
4-<(2-chloro-α,α,α-trifluoro-p-tolyl)oxy>-1,3-dimethylindolin-2-one

Guidance literature:: Multi-step reaction with 5 steps

1: 1) chlorine, 2) triethylamine / 1) CH₂Cl₂, -78 deg C, 5-10 min, 2) a) -78 deg C, 1-1.5 h, b) up to RT, 1-2 h

2: 17 percent / p-toluenesulfonic acid / toluene / Heating

3: 1) NaH / 1) DMSO, 20-30 min, 2) DMSO, 1-4 h

4: 1) NaH / 1) DMSO, 20-30 min, 2) DMSO, 1-4 h

5: 80 percent / Raney nickel / ethanol / Ambient temperature

With chlorine; nickel; sodium hydride; triethylamine; toluene-4-sulfonic acid; In ethanol; toluene;
DOI:10.1021/jo00043a044