4-Isopropoxy-3-(trifluoromethyl)aniline

Base Information

• Chemical Name: 4-Isopropoxy-3-(trifluoromethyl)aniline
• CAS No.: 70338-45-3
• Molecular Formula: C₁₀H₁₂F₃NO
• Molecular Weight: 219.207
• Hs Code.: 2922299090
• European Community (EC) Number: 818-294-1
• Mol file: 70338-45-3.mol

Synonyms:4-Isopropoxy-3-(trifluoromethyl)aniline;70338-45-3;4-propan-2-yloxy-3-(trifluoromethyl)aniline;4-(propan-2-yloxy)-3-(trifluoromethyl)aniline;SCHEMBL11338379;AKOS000101529;SB79043;CS-0118606;EN300-1590348;A1-03305

Chemical Property of 4-Isopropoxy-3-(trifluoromethyl)aniline

Chemical Property:

• PSA: 35.25000
• LogP: 3.65600
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 219.08709849
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

98% ^*data from raw suppliers

4-Isopropoxy-3-(trifluoromethyl)aniline 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=C(C=C(C=C1)N)C(F)(F)F

Technology Process of 4-Isopropoxy-3-(trifluoromethyl)aniline

There total 2 articles about 4-Isopropoxy-3-(trifluoromethyl)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: 88.0%

1-isopropoxy-4-nitro-2-(trifluoromethyl)benzene (70338-44-2) → 3-(trifluoromethyl)-4-isopropoxyaniline (70338-45-3)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 30 ℃; for 4h;

Reference yield:

→ 3-(trifluoromethyl)-4-isopropoxyaniline (70338-45-3)

Guidance literature:

Reference yield:

3-(trifluoromethyl)-4-isopropoxyaniline (70338-45-3) → 1-(5'-ethoxy-6'-((4-methoxybenzyl)oxy)-2-methyl-[3,3'-bipyridin]-6-yl)-3-(4-isopropoxy-3-(trifluoromethyl)phenyl)urea

Guidance literature:

Multi-step reaction with 2 steps

1.1: tetrahydrofuran / 0.25 h / 60 °C / Inert atmosphere

1.2: 16 h / 60 °C

2.1: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate / 1,4-dioxane; water / 16 h / 120 °C / Inert atmosphere

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate; In tetrahydrofuran; 1,4-dioxane; water;

upstream raw materials:

1-isopropoxy-4-nitro-2-(trifluoromethyl)benzene