Meta-trifluoromethylphenyl tert-butyl ether

Base Information

• Chemical Name: Meta-trifluoromethylphenyl tert-butyl ether
• CAS No.: 16222-43-8
• Molecular Formula: C₁₁H₁₃F₃O
• Molecular Weight: 218.219
• DSSTox Substance ID: DTXSID601234927
• Nikkaji Number: J1.387.663K
• Mol file: 16222-43-8.mol

Synonyms:16222-43-8;1-(tert-butoxy)-3-(trifluoromethyl)benzene;meta-trifluoromethylphenyl tert-butyl ether;SCHEMBL2737127;NJIACBGKUBWJIF-UHFFFAOYSA-N;DTXSID601234927;m-(trifluoromethyl)phenyl t-butyl ether;SY298926;1-(1,1-Dimethylethoxy)-3-(trifluoromethyl)benzene

Chemical Property of Meta-trifluoromethylphenyl tert-butyl ether

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 218.09184952
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Meta-trifluoromethylphenyl tert-butyl ether

There total 4 articles about Meta-trifluoromethylphenyl tert-butyl ether 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: 88.3%

3-chlorotrifluoromethylbenzene (98-15-7) + tert-butyl alcohol (75-65-0) → meta-trifluoromethylphenyl tert-butyl ether (16222-43-8)

Guidance literature:

With copper diacetate; sodium hydride; In tetrahydrofuran; at 80 ℃; for 12h; Time;

Reference yield: 44.0%

p-trifluoromethylphenyl bromide (402-43-7) + potassium tert-butylate (865-47-4) → meta-trifluoromethylphenyl tert-butyl ether (16222-43-8) + para-trifluoromethylphenyl tert-butyl ether (16222-44-9)

Guidance literature:

In 1,4-dioxane; at 100 ℃; for 8h;

DOI:10.1055/s-2005-923596

Reference yield: 21.6%

4-Iodobenzotrifluoride (455-13-0) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → meta-trifluoromethylphenyl tert-butyl ether (16222-43-8) + para-trifluoromethylphenyl tert-butyl ether (16222-44-9)

Guidance literature:

With 1,4-diphenylpiperazine-2,5-dione; potassium tert-butylate; at 130 ℃; for 18h; Reagent/catalyst; Sealed tube; Inert atmosphere;

DOI:10.1039/c7ob00036g

upstream raw materials:

p-trifluoromethylphenyl bromide

potassium tert-butylate

4-Iodobenzotrifluoride

benzene

Downstream raw materials:

3-Trifluoromethylphenol