2-Methoxy-3-(trifluoromethyl)aniline

Base Information

• Chemical Name: 2-Methoxy-3-(trifluoromethyl)aniline
• CAS No.: 634187-08-9
• Molecular Formula: C8H8F3NO
• Molecular Weight: 191.15000
• Hs Code.: 2921490090
• European Community (EC) Number: 896-878-5
• DSSTox Substance ID: DTXSID60602600
• Wikidata: Q82499726
• Mol file: 634187-08-9.mol

Synonyms:2-Methoxy-3-(trifluoromethyl)aniline;634187-08-9;3-Amino-2-methoxybenzotrifluoride;MFCD08532489;SCHEMBL2957938;DTXSID60602600;AMY28429;AKOS015956973;CS-W010729;JS-4665;2-Methoxy-3-(trifluoromethyl)aniline, 2-Amino-6-(trifluoromethyl)anisole, 3-(Trifluoromethyl)-o-anisidine;SY227875;D77711;EN300-2007184;A868150

Chemical Property of 2-Methoxy-3-(trifluoromethyl)aniline

Chemical Property:

• Boiling Point: 236.6±40.0 °C(Predicted)
• PKA: 3.31±0.10(Predicted)
• PSA: 35.25000
• Density: 1.280±0.06 g/cm3(Predicted)
• LogP: 2.87740
• Solubility.: Not miscible or difficult to mix.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 191.05579836
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-2-methoxybenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC=C1N)C(F)(F)F

Technology Process of 2-Methoxy-3-(trifluoromethyl)aniline

There total 1 articles about 2-Methoxy-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:

→ 2-methoxy-3-(trifluoromethyl)aniline (634187-08-9)

Guidance literature:

Reference yield: 50.0%

2-methoxy-3-(trifluoromethyl)aniline (634187-08-9) + trimethyl orthoformate (149-73-5) → 2-methoxy-N-methyl-3-(trifluoromethyl)aniline

Guidance literature:

2-methoxy-3-(trifluoromethyl)aniline; trimethyl orthoformate; With sulfuric acid; In methanol; at 100 - 170 ℃; for 2.5h;

With hydrogenchloride; In methanol; water; for 3h; Reflux;

DOI:10.1021/acs.jmedchem.5b01510

Reference yield:

2-methoxy-3-(trifluoromethyl)aniline (634187-08-9) → C11H9F3N2O2

Guidance literature:

Multi-step reaction with 3 steps

1: AcOH; NaOH

2: Br₂

3: Pd(dba)2 / dimethylformamide

With sodium hydroxide; bromine; acetic acid; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2007.01.076

Downstream raw materials:

C₁₀H₉BrF₃NO₂

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