N,N-diethyl-2-(trifluoromethyl)aniline

Base Information

• Chemical Name: N,N-diethyl-2-(trifluoromethyl)aniline
• CAS No.: 106877-26-3
• Molecular Formula: C₁₁H₁₄F₃N
• Molecular Weight: 217.234
• DSSTox Substance ID: DTXSID701268199
• Nikkaji Number: J3.226.944C
• Mol file: 106877-26-3.mol

Synonyms:N,N-diethyl-2-(trifluoromethyl)aniline;106877-26-3;SCHEMBL9821084;NNKPIGZCCACAHR-UHFFFAOYSA-N;DTXSID701268199;N,N-Diethyl-2-(trifluoromethyl)benzenamine

Chemical Property of N,N-diethyl-2-(trifluoromethyl)aniline

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 217.10783394
• Heavy Atom Count: 15
• Complexity: 187

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)C1=CC=CC=C1C(F)(F)F

Technology Process of N,N-diethyl-2-(trifluoromethyl)aniline

There total 5 articles about N,N-diethyl-2-(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: 78.0%

ethyl bromide (74-96-4) + 2-(trifluoromethyl)benzenamine (88-17-5) → N,N-diethyl-2-(trifluoromethyl)aniline (106877-26-3)

Guidance literature:

2-(trifluoromethyl)benzenamine; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 0.25h;

ethyl bromide; In N,N-dimethyl-formamide; at 40 ℃; for 8h;

DOI:10.1021/ja311398j

Reference yield: 45.0%

iodotrifluoromethane (2314-97-8,263005-66-9) + N,N-diethylaniline (91-66-7) → N,N-diethyl-4-(trifluoromethyl)aniline (106877-27-4) + N,N-diethyl-2-(trifluoromethyl)aniline (106877-26-3)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; 5,5'-bis((2-(trifluoromethyl)phenyl)ethynyl)-2,2'-bithiophene; In N,N-dimethyl-formamide; at 20 ℃; for 0.333333h; Overall yield = 54 %; Irradiation;

DOI:10.1002/adsc.201801571

Reference yield: 18.0%

Bromotrifluoromethane (75-63-8) + N,N-diethylaniline (91-66-7) → N,N-diethyl-4-(trifluoromethyl)aniline (106877-27-4) + N,N-diethyl-2-(trifluoromethyl)aniline (106877-26-3)

Guidance literature:

With α-picoline; sodium metabisulfite; sulfur dioxide; zinc; In N,N-dimethyl-formamide; at 65 ℃; for 3h; under 2250.2 - 3750.3 Torr;

upstream raw materials:

Bromotrifluoromethane

N,N-diethylaniline

bis(trifluoromethyl)tellurium

tris(trifluoromethyl)bismuth

Downstream raw materials:

N,N-diethyl-o-toluidine