4-Methoxy-3-(2,2,2-trifluoroethoxy)aniline

Base Information

• Chemical Name: 4-Methoxy-3-(2,2,2-trifluoroethoxy)aniline
• CAS No.: 953744-38-2
• Molecular Formula: C₉H₁₀F₃NO₂
• Molecular Weight: 221.179
• European Community (EC) Number: 963-647-6
• Mol file: 953744-38-2.mol

Synonyms:4-methoxy-3-(2,2,2-trifluoroethoxy)aniline;953744-38-2;SCHEMBL20679593;VBQUAQKNJDNXLR-UHFFFAOYSA-N;AKOS000141949;MCULE-6365568332;EN300-36121;AB01002113-01;Z239873262

Chemical Property of 4-Methoxy-3-(2,2,2-trifluoroethoxy)aniline

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 221.06636305
• Heavy Atom Count: 15
• Complexity: 198

Purity/Quality:

4-methoxy-3-(2,2,2-trifluoroethoxy)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)N)OCC(F)(F)F

Technology Process of 4-Methoxy-3-(2,2,2-trifluoroethoxy)aniline

There total 2 articles about 4-Methoxy-3-(2,2,2-trifluoroethoxy)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:

C9H8F3NO4 → 4-methoxy-3-(2,2,2-trifluoroethoxy)aniline (953744-38-2)

Guidance literature:

With palladium on activated carbon; hydrogen; In ethanol; under 760.051 Torr; Inert atmosphere;

DOI:10.1002/anie.201511149

Reference yield:

5-nitroguaiacol (636-93-1) → 4-methoxy-3-(2,2,2-trifluoroethoxy)aniline (953744-38-2)

Guidance literature:

Multi-step reaction with 2 steps

1: caesium carbonate / acetonitrile / 3 h / 85 °C / Inert atmosphere

2: hydrogen; palladium on activated carbon / ethanol / 760.05 Torr / Inert atmosphere

With palladium on activated carbon; hydrogen; caesium carbonate; In ethanol; acetonitrile;

DOI:10.1002/anie.201511149

Reference yield:

4-methoxy-3-(2,2,2-trifluoroethoxy)aniline (953744-38-2) → 2,2,2-trifluoro-1-(5-methoxy-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)-1H-indol-3-yl)ethan-1-one

Guidance literature:

Multi-step reaction with 3 steps

1: 0.5 h / Inert atmosphere; Sonication

2: [bis(acetoxy)iodo]benzene / 2,2,2-trifluoroethanol / 0.51 h / 20 °C / Inert atmosphere

3: trifluoroacetic acid / 2,2,2-trifluoroethanol / Inert atmosphere

With [bis(acetoxy)iodo]benzene; trifluoroacetic acid; In 2,2,2-trifluoroethanol;

DOI:10.1002/anie.201511149

upstream raw materials:

5-nitroguaiacol

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