3-(3-(Trifluoromethoxy)phenoxy)aniline

Base Information

• Chemical Name: 3-(3-(Trifluoromethoxy)phenoxy)aniline
• CAS No.: 263266-23-5
• Molecular Formula: C13H10 F3 N O2
• Molecular Weight: 269.22
• DSSTox Substance ID: DTXSID60446945
• Wikidata: Q82265698
• Mol file: 263266-23-5.mol

Synonyms:263266-23-5;3-[3-(trifluoromethoxy)phenoxy]aniline;3-(3-(Trifluoromethoxy)phenoxy)aniline;3-(3-(trifluoromethoxy)phenoxy)benzenamine;3-(3-trifluoromethoxyphenoxy)aniline;3-(3-TRIFLUOROMETHOXY-PHENOXY)-PHENYLAMINE;SCHEMBL3277697;DTXSID60446945;AMY38332;SB82006;EN300-156646;A1-49783

Chemical Property of 3-(3-(Trifluoromethoxy)phenoxy)aniline

Chemical Property:

• Boiling Point: 317.8±37.0 °C(Predicted)
• PKA: 3.89±0.10(Predicted)
• PSA: 44.48000
• Density: 1.328±0.06 g/cm3(Predicted)
• LogP: 4.54090
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 269.06636305
• Heavy Atom Count: 19
• Complexity: 286

Purity/Quality:

99%+ ^*data from raw suppliers

3-(3-TRIFLUOROMETHOXY-PHENOXY)-PHENYLAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OC2=CC(=CC=C2)OC(F)(F)F)N

Technology Process of 3-(3-(Trifluoromethoxy)phenoxy)aniline

There total 2 articles about 3-(3-(Trifluoromethoxy)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:

meta-dinitrobenzene (99-65-0) → 3-[3-(trifluoromethoxy)phenoxy]aniline (263266-23-5)

Guidance literature:

Multi-step reaction with 2 steps

1: Cs₂CO₃ / dimethylsulfoxide / 100 °C

2: 1.2 g / Zn; AcOH / 1 h / 20 °C

With caesium carbonate; acetic acid; zinc; In dimethyl sulfoxide;

DOI:10.1021/jm020528+

Reference yield:

3-(trifluoromethoxy)phenol (827-99-6) → 3-[3-(trifluoromethoxy)phenoxy]aniline (263266-23-5)

Guidance literature:

Multi-step reaction with 2 steps

1: Cs₂CO₃ / dimethylsulfoxide / 100 °C

2: 1.2 g / Zn; AcOH / 1 h / 20 °C

With caesium carbonate; acetic acid; zinc; In dimethyl sulfoxide;

DOI:10.1021/jm020528+

Reference yield:

3-(1,1,2,2-Tetrafluoroethoxy)-benzaldehyde (35295-35-3) + 3-[3-(trifluoromethoxy)phenoxy]aniline (263266-23-5) → N-[3-(1,1,2,2-tetrafluoroethoxy)benzyl]-3-[(3-trifluoromethoxy)phenoxy]aniline (263266-24-6)

Guidance literature:

With sodium tris(acetoxy)borohydride; acetic acid; In 1,2-dichloro-ethane; at 20 ℃;

DOI:10.1021/jm020528+

upstream raw materials:

meta-dinitrobenzene

3-(trifluoromethoxy)phenol

Downstream raw materials:

N-[3-(1,1,2,2-tetrafluoroethoxy)benzyl]-3-[(3-trifluoromethoxy)phenoxy]aniline

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