3-methyl-N,N-diphenylaniline

Base Information

• Chemical Name: 3-methyl-N,N-diphenylaniline
• CAS No.: 4316-54-5
• Molecular Formula: C19H17N
• Molecular Weight: 259.351
• Hs Code.: 2921430090
• DSSTox Substance ID: DTXSID50454751
• Nikkaji Number: J946.544H
• Wikidata: Q82276464
• Mol file: 4316-54-5.mol

Synonyms:3-methyl-N,N-diphenylaniline;4316-54-5;3-METHYLTRIPHENYLAMINE;m-tolyl-diphenyl-amine;Benzenamine, 3-methyl-N,N-diphenyl-;3-methylphenyldiphenylamine;N,N-Diphenyl-3-methylaniline;SCHEMBL883418;DTXSID50454751;FHMZRXAOGIFMFL-UHFFFAOYSA-N;ADAL1085080;BS-52146;CS-0163312;E77201

Chemical Property of 3-methyl-N,N-diphenylaniline

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.636
• Boiling Point: 393.956 °C at 760 mmHg
• Flash Point: 171.888 °C
• PSA: 3.24000
• Density: 1.095 g/cm³
• LogP: 5.46480
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 259.136099547
• Heavy Atom Count: 20
• Complexity: 258

Purity/Quality:

98%Min ^*data from raw suppliers

3-METHYLTRIPHENYLAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 3-methyl-N,N-diphenylaniline

There total 29 articles about 3-methyl-N,N-diphenylaniline 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: 100.0%

iodobenzene (591-50-4) + 3-Methyldiphenylamine (1205-64-7) → N,N-diphenyl-m-toluidine (4316-54-5)

Guidance literature:

With tri-tert-butyl phosphine; 5%-palladium/activated carbon; sodium t-butanolate; In o-xylene; at 110 ℃; for 2h; Inert atmosphere;

Reference yield: 98.0%

Phenyl triflate (17763-67-6) + 3-Methyldiphenylamine (1205-64-7) → N,N-diphenyl-m-toluidine (4316-54-5)

Guidance literature:

With tri-tert-butyl phosphine; 5%-palladium/activated carbon; sodium t-butanolate; In o-xylene; at 110 ℃; for 2h; Inert atmosphere;

Reference yield: 98.0%

bromobenzene (108-86-1,52753-63-6) + 3-Methyldiphenylamine (1205-64-7) → N,N-diphenyl-m-toluidine (4316-54-5)

Guidance literature:

With tri-tert-butyl phosphine; 5%-palladium/activated carbon; sodium t-butanolate; In o-xylene; at 110 ℃; for 2h; Reagent/catalyst; Temperature; Catalytic behavior; Inert atmosphere;

upstream raw materials:

1-chloro-3-methylbenzene

potassium diphenylamide

2-methylchlorobenzene

3-Iodotoluene

Downstream raw materials:

4,4'-bis(m-tolylphenylamino)biphenyl

C₁₉H₁₄Br₃N

C₁₉H₁₆BrN

Refernces

• 1、 Jin, Xiongjie,Koizumi, Yu,Mizuno, Noritaka,Nozaki, Kyoko,Takayama, Satoshi,Yamaguchi, Kazuya,Yatabe, Takafumi. "Synthesis of unsymmetrically substituted triarylaminesviaacceptorless dehydrogenative aromatization using a Pd/C andp-toluenesulfonic acid hybrid relay catalyst". . p. 4074 - 4084. Retrieved 2020/05/25.
• 2、 Pang, Shaofeng,Zhang, Yujing,Huang, Yongji,Yuan, Hangkong,Shi, Feng. "N/O-doped carbon as a "solid ligand" for nano-Pd catalyzed biphenyl- and triphenylamine syntheses". . p. 2170 - 2182. Retrieved 2017/07/24.