N-methyl-3-(trifluoromethyl)aniline

Base Information

• Chemical Name: N-methyl-3-(trifluoromethyl)aniline
• CAS No.: 2026-70-2
• Molecular Formula: C8H8 F3 N
• Molecular Weight: 175.153
• Hs Code.: 2921430090
• DSSTox Substance ID: DTXSID80382513
• Wikidata: Q72491966
• Mol file: 2026-70-2.mol

Synonyms:N-methyl-3-(trifluoromethyl)aniline;2026-70-2;methyl-(3-trifluoromethyl-phenyl)-amine;Benzenamine, N-methyl-3-(trifluoromethyl)-;SCHEMBL1420853;N-metyl-3-trifluoromethylaniline;DTXSID80382513;N-methyl-3-trifluoromethylaniline;MFCD07368696;AKOS000252092;FS-2363;3-(trifluoromethyl)-N-methylbenzenamine;CS-0130289;FT-0683493;EN300-317065;A879746

Chemical Property of N-methyl-3-(trifluoromethyl)aniline

Chemical Property:

• Vapor Pressure: 0.416mmHg at 25°C
• Refractive Index: 1.485
• Boiling Point: 195.6°Cat760mmHg
• PKA: 3.92±0.25(Predicted)
• Flash Point: 72.1°C
• PSA: 12.03000
• Density: 1.229g/cm³
• LogP: 2.82010
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 175.06088375
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Methyl-3-(trifluoromethyl)aniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=CC=CC(=C1)C(F)(F)F

Technology Process of N-methyl-3-(trifluoromethyl)aniline

There total 18 articles about N-methyl-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: 97.0%

N-methyl-N-(3-(trifluoromethyl)phenyl)formamide → N-methyl-3-(trifluoromethyl)aniline (2026-70-2)

Guidance literature:

With C₁₈H₃₇ClMoNO₂P₂; hydrogen; sodium triethylborohydride; In tetrahydrofuran; toluene; at 100 ℃; for 24h; under 37503.8 Torr; Autoclave; Glovebox;

DOI:10.1039/c9sc03453f

Reference yield: 92.0%

methanol (67-56-1) + 3-trifluoromethylaniline (98-16-8) → N-methyl-3-(trifluoromethyl)aniline (2026-70-2)

Guidance literature:

With [(η5-pentamethylcyclopentadienyl)Ir^IIIbis-(κC-1,3-dimethylimidazol-2-ylidene)Cl]BF₄; potassium hydroxide; In toluene; at 100 ℃; for 12h; Sealed tube;

DOI:10.1016/j.poly.2021.115289

Reference yield: 85.0%

3-trifluoromethylaniline (98-16-8) + methyl iodide (74-88-4) → N-methyl-3-(trifluoromethyl)aniline (2026-70-2)

Guidance literature:

3-trifluoromethylaniline; With trifluoroacetic anhydride; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

methyl iodide; With potassium carbonate; In acetone; for 2h; Inert atmosphere; Reflux;

DOI:10.1039/c8ob02753f

upstream raw materials:

N-acetyl-3-trifluoromethylbenzenamine

methyl iodide

dimethyl sulfate

3-trifluoromethylaniline

Downstream raw materials:

(S)-3-(trifluoromethyl)-N-methyl-N-(1-phenyl-2-propynyl)aniline

(S)-3-(trifluoromethyl)-N-methyl-N-[1-(1-naphthyl)-2-propynyl]aniline

C₁₆H₁₂F₃N₃O₂

C₁₇H₁₅BrF₃N₃O₂

Refernces

• 1、 Feng, Xinshu,Huang, Ming. "Effect of the ancillary ligand in N-heterocyclic carbene iridium(III) catalyzed N-alkylation of amines with alcohols". . . Retrieved 2021/06/21.
• 2、 Liu, Yuxia,Yan, Yonggang,Xue, Dong,Wang, Zhongfu,Xiao, Jianliang,Wang, Chao. "Highly Efficient Binuclear Copper-catalyzed Oxidation of N,N-Dimethylanilines with O2". . p. 2221 - 2225. Retrieved 2020/03/23.