2,6-Dimethyl-N-(o-tolyl)aniline

Base Information

• Chemical Name: 2,6-Dimethyl-N-(o-tolyl)aniline
• CAS No.: 68014-57-3
• Molecular Formula: C15H17N
• Molecular Weight: 211.307
• Hs Code.: 2921440000
• DSSTox Substance ID: DTXSID10456918
• Nikkaji Number: J143.809C
• Wikidata: Q82279537
• Mol file: 68014-57-3.mol

Synonyms:68014-57-3;2,6-Dimethyl-N-(o-tolyl)aniline;2,6-dimethyl-N-(2-methylphenyl)aniline;2,6-dimethyl-N-o-tolylaniline;Benzenamine, 2,6-dimethyl-N-(2-methylphenyl)-;SCHEMBL4800221;2,2',6'-Trimethyldiphenylamine;DTXSID10456918;SB79056;A835962;J-507516

Chemical Property of 2,6-Dimethyl-N-(o-tolyl)aniline

Chemical Property:

• PSA: 12.03000
• LogP: 4.42840
• Storage Temp.: 2-8°C
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 211.136099547
• Heavy Atom Count: 16
• Complexity: 204

Purity/Quality:

98%min ^*data from raw suppliers

2,6-Dimethyl-N-(o-tolyl)aniline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)NC2=CC=CC=C2C

Technology Process of 2,6-Dimethyl-N-(o-tolyl)aniline

There total 6 articles about 2,6-Dimethyl-N-(o-tolyl)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: 99.0%

2,6-dimethyl-1-chlorobenzene (6781-98-2) + o-toluidine (95-53-4) → 2,6-dimethyl-N-(o-tolyl)aniline (68014-57-3)

Guidance literature:

With NHC-Pd(II)-Im; potassium tert-butylate; In toluene; for 4h; Inert atmosphere; Reflux;

DOI:10.1016/j.tet.2012.01.008

Reference yield: 99.0%

2-methylchlorobenzene (95-49-8) + 2,6-dimethylaniline (87-62-7) → 2,6-dimethyl-N-(o-tolyl)aniline (68014-57-3)

Guidance literature:

With potassium tert-butylate; In 1,4-dioxane; at 110 ℃; for 3h;

DOI:10.1016/j.jorganchem.2007.05.022

Reference yield: 99.0%

2-methylphenyl bromide (95-46-5) + 2,6-dimethylaniline (87-62-7) → 2,6-dimethyl-N-(o-tolyl)aniline (68014-57-3)

Guidance literature:

2-methylphenyl bromide; With PdCl(cinnamyl)(N,N′-bis(2,6-bis(diphenylmethyl)-4-methylphenyl)imidazol-2-ylidene); potassium 2-methylbutan-2-olate; In neat (no solvent); at 25 ℃; for 0.0833333h;

2,6-dimethylaniline; In neat (no solvent); at 25 ℃; for 0.0833333h;

DOI:10.1039/c3ra40386f

upstream raw materials:

2-methylchlorobenzene

2,6-dimethylaniline

2,6-dimethyl-1-chlorobenzene

o-toluidine

Refernces

• 1、 Zhang, Zhi-Mao,Xu, Yu-Ting,Shao, Li-Xiong. "Synthesis of N-heterocyclic carbene-Pd(II)-5-phenyloxazole complexes and initial studies of their catalytic activity toward the Buchwald-Hartwig amination of aryl chlorides". . . Retrieved 2021/04/19.
• 2、 -. "N-heterocyclic carbene-palladium complex, and preparation method and application thereof". Paragraph 0140; 0141; 0142. . Retrieved 2017/07/22.