4-methyl-N,N-diphenylaniline

Base Information

• Chemical Name: 4-methyl-N,N-diphenylaniline
• CAS No.: 4316-53-4
• Molecular Formula: C19H17N
• Molecular Weight: 259.351
• Hs Code.: 2921430090
• European Community (EC) Number: 677-549-3
• DSSTox Substance ID: DTXSID30461685
• Nikkaji Number: J195.894A
• Wikidata: Q72492229
• Mol file: 4316-53-4.mol

Synonyms:4-methyl-N,N-diphenylaniline;4-Methyltriphenylamine;4316-53-4;N-(4-methylphenyl)diphenylamine;4-tolyldiphenylamine;diphenyl-p-tolylamine;N,N-Diphenyl-p-toluidine;SCHEMBL43023;(4-methylphenyl)diphenylamine;4 METHYLTRIPHENYLAMINE;N-(p-toluyl)-N,N-diphenylamine;DTXSID30461685;AMY18018;MFCD03093256;Benzenamine, 4-methyl-N,N-diphenyl-;AKOS015915399;SB66874;AS-57737;FT-0652746;M1898;T72471;A826190;J-515837

Chemical Property of 4-methyl-N,N-diphenylaniline

Chemical Property:

• Vapor Pressure: 2.08E-06mmHg at 25°C
• Melting Point: 67 °C
• Refractive Index: 1.636
• Boiling Point: 393.8 °C at 760 mmHg
• PKA: -2.62±0.30(Predicted)
• Flash Point: 171.8 °C
• PSA: 3.24000
• Density: 1.095 g/cm³
• LogP: 5.46480
• Solubility.: soluble in Toluene
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 259.136099547
• Heavy Atom Count: 20
• Complexity: 250

Purity/Quality:

99% ^*data from raw suppliers

4-Methyltriphenylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3
• Uses: 4-Methyltriphenylamine (cas# 4316-53-4) is a useful reactant and reagent in organic reactions and synthesis.

Technology Process of 4-methyl-N,N-diphenylaniline

There total 53 articles about 4-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: 99.0%

para-chlorotoluene (106-43-4) + diphenylamine (122-39-4) → diphenyl(p-tolyl)amine (4316-53-4)

Guidance literature:

With PdCl(π-allyl)(cyclohexyl-(1-methyl-2,2-diphenylcyclopropylphophine)); sodium t-butanolate; In tetrahydrofuran; toluene; at 100 ℃; for 0.25h; Reagent/catalyst; Inert atmosphere;

DOI:10.1002/adsc.201300332

Reference yield: 99.0%

para-bromotoluene (106-38-7) + diphenylamine (122-39-4) → diphenyl(p-tolyl)amine (4316-53-4)

Guidance literature:

With palladium diacetate; sodium t-butanolate; ruphos; In neat (no solvent); at 110 ℃; for 12h; Green chemistry;

DOI:10.1002/ejoc.201402077

Reference yield: 99.0%

bromobenzene (108-86-1,52753-63-6) + p-toluidine (106-49-0,12221-03-3) → diphenyl(p-tolyl)amine (4316-53-4)

Guidance literature:

With (1,3-bis(2,6-diisopropylphenyl)-3,4,5,6-tetrahydropyrimidin-2-ylidene)Pd(cinnamyl, 3-phenylallyl)Cl; sodium t-butanolate; In neat (no solvent); at 110 ℃; for 12h; Inert atmosphere; Green chemistry;

DOI:10.1002/ejoc.201501616

upstream raw materials:

4-tolyl iodide

diphenylamine

iodobenzene

meta-bromotoluene

Downstream raw materials:

N,N'-di(4''-methylphenyl)-N,N'-diphenyl-1,1'-biphenyl-4,4'-diamine

N,N-di(4-iodophenyl)-4-tolylamine

4-(N,N-diphenylamino)benzyl bromide

4-methyl-N,N-bis(4-(9-(3,4,5-trifluorophenyl)-9H-fluoren-9-yl)phenyl)aniline