3,4-Dimethyldiphenylamine

Base Information

• Chemical Name: 3,4-Dimethyldiphenylamine
• CAS No.: 17802-36-7
• Molecular Formula: C14H15N
• Molecular Weight: 197.28
• Hs Code.: 2921440000
• European Community (EC) Number: 679-857-3
• DSSTox Substance ID: DTXSID70566087
• Nikkaji Number: J959.772G
• Wikidata: Q72469886
• Mol file: 17802-36-7.mol

Synonyms:3,4-Dimethyldiphenylamine;17802-36-7;3,4-dimethyl-N-phenylaniline;MFCD03093248;N-phenyl-3,4-dimethylphenylamine;N-Phenyl-3,4-xylidine;Phenyl(3,4-xylyl)amine;3,4-dimethyl-N-phenyl-aniline;SCHEMBL4826082;DTXSID70566087;ACWJKFBBRPYPLL-UHFFFAOYSA-N;AC7534;AKOS006281202;Benzenamine, 3,4-dimethyl-N-phenyl-;CS-W010560;SB66494;DS-13914;SY005742;D3845;A812334

Chemical Property of 3,4-Dimethyldiphenylamine

Chemical Property:

• Appearance/Colour: White crystal
• Vapor Pressure: 0.000138mmHg at 25°C
• Melting Point: 57 °C
• Refractive Index: 1.611
• Boiling Point: 333.3 °C at 760 mmHg
• PKA: 1.42±0.50(Predicted)
• Flash Point: 163.6 °C
• PSA: 12.03000
• Density: 1.049 g/cm³
• LogP: 4.12000
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 197.120449483
• Heavy Atom Count: 15
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

3,4-Dimethyldiphenylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)NC2=CC=CC=C2)C

Technology Process of 3,4-Dimethyldiphenylamine

There total 12 articles about 3,4-Dimethyldiphenylamine 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: 98.0%

3,4-dimethyliodobenzene (31599-61-8) + aniline (62-53-3) → N-(3,4-Dimethylphenyl)-N-phenylamine (17802-36-7)

Guidance literature:

With C₃₀H₂₄N₃OPPd; at 120 ℃; for 24h; Inert atmosphere; Alkaline conditions;

DOI:10.1016/j.ica.2015.02.002

Reference yield: 94.0%

3,4-dimethylcyclohexanone (5465-09-8) + aniline (62-53-3) → N-(3,4-Dimethylphenyl)-N-phenylamine (17802-36-7)

Guidance literature:

With gold-palladium bimetallic nanoparticles supported on TiO₂; In 1,3,5-trimethyl-benzene; at 160 ℃; for 24h; under 760.051 Torr; Inert atmosphere; Schlenk technique;

DOI:10.1039/c6sc04455g

Reference yield: 92.0%

4-amino-o-xylene (95-64-7) + phenylboronic acid (98-80-6) → N-(3,4-Dimethylphenyl)-N-phenylamine (17802-36-7)

Guidance literature:

With copper immobilized at polyimide covalent organic framework; In methanol; water; at 20 ℃; for 8h;

DOI:10.1039/c8gc02611d

upstream raw materials:

2-[N-(2,3-dimethylphenyl)amino]benzoic acid

o-xylene

Phenyl azide

triphenylbismuthane

Refernces

• 1、 Taniguchi, Kento,Jin, Xiongjie,Yamaguchi, Kazuya,Nozaki, Kyoko,Mizuno, Noritaka. "Versatile routes for synthesis of diarylamines through acceptorless dehydrogenative aromatization catalysis over supported gold-palladium bimetallic nanoparticles". . p. 2131 - 2142. Retrieved 2017/03/09.
• 2、 -. "RAPID, COST EFFECTIVE METHOD FOR SYNTHESIS OF DIARYLAMINE COMPOUNDS". Page/Page column 8. . Retrieved 2008/12/05.