Benzenamine, 4-methyl-N,N-bis(4-methylphenyl)-

Base Information

• Chemical Name: Benzenamine, 4-methyl-N,N-bis(4-methylphenyl)-
• CAS No.: 1159-53-1
• Molecular Formula: C21H21N
• Molecular Weight: 287.404
• Hs Code.: 29214990
• European Community (EC) Number: 214-595-1
• UNII: PD3W5YWX52
• DSSTox Substance ID: DTXSID6061573
• Nikkaji Number: J203.417D
• Wikidata: Q72514631
• Mol file: 1159-53-1.mol

Synonyms:tri(p-tolyl)amine;tri-p-tolylamine

Chemical Property of Benzenamine, 4-methyl-N,N-bis(4-methylphenyl)-

Chemical Property:

• Appearance/Colour: white crystal
• Vapor Pressure: 1.05E-07mmHg at 25°C
• Melting Point: 114-118°C
• Refractive Index: 1.619
• Boiling Point: 433.2 °C at 760 mmHg
• PKA: -1.76±0.50(Predicted)
• Flash Point: 191.1 °C
• PSA: 3.24000
• Density: 1.066 g/cm³
• LogP: 6.08160
• Storage Temp.: 2-8°C
• Solubility.: Soluble in chloroform and tetrahydrofuran (THF).
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 287.167399674
• Heavy Atom Count: 22
• Complexity: 263

Purity/Quality:

99% ^*data from raw suppliers

Tri-p-tolylamine >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N,Xn,F
• Hazard Codes: T,N,Xn,F
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C
• Uses: Used for proteomics research. Also employed as a intermediate for pharmaceutical.

Technology Process of Benzenamine, 4-methyl-N,N-bis(4-methylphenyl)-

There total 35 articles about Benzenamine, 4-methyl-N,N-bis(4-methylphenyl)- 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%

para-bromotoluene (106-38-7) + lithium p-dimethyldiphenylamine → tri(p-tolyl)amine (1159-53-1)

Guidance literature:

With 2Pd; In toluene; at 90 ℃; for 1h;

DOI:10.1021/ja972806d

Reference yield: 94.0%

para-bromotoluene (106-38-7) → tri(p-tolyl)amine (1159-53-1)

Guidance literature:

With potassium tert-butylate; urea; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; tri tert-butylphosphoniumtetrafluoroborate; In 1,4-dioxane; at 100 ℃; for 48h;

DOI:10.1134/S1070428006110133

Reference yield: 93.0%

para-bromotoluene (106-38-7) + p-toluidine (106-49-0,12221-03-3) → tri(p-tolyl)amine (1159-53-1)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; triphenylphosphine; sodium t-butanolate; In o-xylene; for 12h; Inert atmosphere; Reflux; Schlenk technique;

DOI:10.1016/j.tet.2014.05.048

upstream raw materials:

4-tolyl iodide

di-p-tolylamine

p-toluidine

tri(p-bromophenyl)amine

Downstream raw materials:

tris(2-bromo-4-methylphenyl)amine

3,6-dimethyl, N-(p-tolyl)carbazole

C₂₁H₂₁N

2-nitro-4,4',4''-trimethyltriphenylamine

Refernces

• 1、 DiMarco, Brian N.,Troian-Gautier, Ludovic,Sampaio, Renato N.,Meyer, Gerald J.. "Dye-sensitized electron transfer from TiO2 to oxidized triphenylamines that follows first-order kinetics". . p. 940 - 949. Retrieved 2018.
• 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.
• 3、 Koshechko, V. G.,Titov, V. E.,Pokhodenko, V. D.. "". . . Retrieved 1982.
• 4、 Iles,Ledswith. "". . p. 498. Retrieved 1968.
• 5、 Liu, Yu-Hua,Chen, Chen,Yang, Lian-Ming. "Diazabutadiene: a simple and efficient ligand for copper-catalyzed N-arylation of aromatic amines". . p. 9275 - 9278. Retrieved 2006.