3-Methyl-N-(2-phenylethyl)aniline

Base Information

• Chemical Name: 3-Methyl-N-(2-phenylethyl)aniline
• CAS No.: 1958-56-1
• Molecular Formula: C15H17N
• Molecular Weight: 211.307
• DSSTox Substance ID: DTXSID40506152
• Nikkaji Number: J2.296.223J
• Wikidata: Q82361759
• Mol file: 1958-56-1.mol

Synonyms:1958-56-1;3-Methyl-N-(2-phenylethyl)aniline;N-(2-phenylethyl)-m-toluidine;SCHEMBL3910828;DTXSID40506152;KHAYUQIOYHYRCC-UHFFFAOYSA-N;AKOS000224626

Chemical Property of 3-Methyl-N-(2-phenylethyl)aniline

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 211.136099547
• Heavy Atom Count: 16
• Complexity: 184

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)NCCC2=CC=CC=C2

Technology Process of 3-Methyl-N-(2-phenylethyl)aniline

There total 12 articles about 3-Methyl-N-(2-phenylethyl)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: 95.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 1-amino-3-methylbenzene (108-44-1) → N-(2-phenylethyl)-m-toluidine (1958-56-1)

Guidance literature:

With diethoxymethylane; potassium tert-butylate; at 30 ℃; for 18h; Glovebox; Inert atmosphere;

DOI:10.1055/a-1681-4720

Reference yield: 90.0%

triphenyl phosphite (101-02-0) + 2-phenylethanol (60-12-8) + 1-amino-3-methylbenzene (108-44-1) → N-(2-phenylethyl)-m-toluidine (1958-56-1)

Guidance literature:

In water;

Reference yield: 75.0%

C15H19NO (1384752-94-6) → N-(2-phenylethyl)-m-toluidine (1958-56-1)

Guidance literature:

C₁₅H₁₉NO; With 4-nitro-benzoic acid; In acetonitrile; at 80 ℃; for 10h; Inert atmosphere;

With sodium carbonate; In acetonitrile; regioselective reaction; Inert atmosphere;

DOI:10.1016/j.tet.2012.05.054

upstream raw materials:

m-Tolyl-[2,2,2-trichloro-1-phenyl-eth-(E)-ylidene]-amine

3-methyl-N-(1-phenylethylidene)aniline

triphenyl phosphite

2-phenylethanol

Downstream raw materials:

N-ethyl-N-phenethyl-3-methylaniline radical