Benzenamine, 4-methyl-N-phenyl-

Base Information

• Chemical Name: Benzenamine, 4-methyl-N-phenyl-
• CAS No.: 620-84-8
• Molecular Formula: C13H13N
• Molecular Weight: 183.253
• Hs Code.: 29214400
• European Community (EC) Number: 210-655-6
• UNII: 8LQZ8N5BSL
• DSSTox Substance ID: DTXSID5060724
• Nikkaji Number: J29.920K
• Wikidata: Q72490333
• ChEMBL ID: CHEMBL1540398
• Mol file: 620-84-8.mol

Synonyms:4-Methyldiphenylamine;620-84-8;4-methyl-N-phenylaniline;Benzenamine, 4-methyl-N-phenyl-;N-Phenyl-p-toluidine;p-Toluidine, N-phenyl-;8LQZ8N5BSL;N-(4-methylphenyl)-N-phenylamine;EINECS 210-655-6;MFCD00092921;(4-methylphenyl)phenylamine;n-4-tolylaniline;Phenyl-p-tolylamin;Phenyl-p-tolylamine;4-methyldiphenylamin;Phenyl-p-tolyl-amine;SMR000113884;N-P-TOLYLANILINE;UNII-8LQZ8N5BSL;N-Pnenyl-4-methylaniline;P-METHYLDIPHENYLAMINE;4-Methyl-N-phenylbenzenamine;MLS000547100;SCHEMBL172875;CHEMBL1540398;DTXSID5060724;HMS2337O21;BCP34298;AKOS006227771;AD-0366;CS-W017041;NCGC00247108-01;SY005741;FT-0632597;M1173;D70378;A833571;AE-641/05536041;W-105050;4-Methyl-N-phenylaniline

Chemical Property of Benzenamine, 4-methyl-N-phenyl-

Chemical Property:

• Appearance/Colour: white crystal
• Vapor Pressure: 0.000132mmHg at 25°C
• Melting Point: 90°C
• Refractive Index: 1.621
• Boiling Point: 334 °C at 760 mmHg
• PKA: 1.23±0.20(Predicted)
• Flash Point: 154.9 °C
• PSA: 12.03000
• Density: 1.066 g/cm³
• LogP: 3.81160
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water. Soluble in benzene, toluene,methanol, ethanol
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 183.104799419
• Heavy Atom Count: 14
• Complexity: 153

Purity/Quality:

99%min. ^*data from raw suppliers

4-Methyldiphenylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC2=CC=CC=C2
• Uses: 4-Methyldiphenylamine is used as a syntheses material intermediates as well as OLED materials. It can be used in agrochemical, pharmaceutical and dyestuff field.

Technology Process of Benzenamine, 4-methyl-N-phenyl-

There total 203 articles about Benzenamine, 4-methyl-N-phenyl- 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) + aniline (62-53-3) → 4-methyldiphenylamine (620-84-8)

Guidance literature:

With tri-tert-butyl phosphine; sodium t-butanolate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In toluene; at 20 ℃; for 18h;

Reference yield: 99.0%

para-chlorotoluene (106-43-4) + aniline (62-53-3) → 4-methyldiphenylamine (620-84-8)

Guidance literature:

With (R)-1-[(S_P)-2-(diphenylphosphino)ferrocenyl]ethyldi-tert-butylphosphine; bis(dibenzylideneacetone)-palladium⁽⁰⁾; sodium t-butanolate; In toluene; at 110 ℃; for 16h; Mechanism; Product distribution; other amines; other aryl halides and tosylates; var. chelating alkylphosphines, var. time, var. temp., further solvent;

DOI:10.1021/ja981318i

Reference yield: 99.0%

iodobenzene (591-50-4) + p-toluidine (106-49-0,12221-03-3) → 4-methyldiphenylamine (620-84-8)

Guidance literature:

With nickel(II) iodide; potassium phosphate; 2-Phenyl-1,3,2-dioxaborinane; In 1,4-dioxane; at 115 ℃; for 24h; chemoselective reaction; Inert atmosphere;

DOI:10.1021/acs.orglett.0c01600

upstream raw materials:

diethyl ether

1-methyl-4-nitrobenzene

N-phenyl-N-p-tolyl-hydroxylamine

N-(4-Methylphenyl)-N-phenylbenzamide

Downstream raw materials:

3-methyl-10H-phenothiazine

N-phenyl-N-(p-tolyl)nitrous amide

N₄,N₄'-di-p-tolyl-[1,1'-biphenyl]-4,4'-diamine

1,2-diphenyl-1,2-di-p-tolylhydrazine

Refernces

• 1、 Patton,Dudley. "Synthesis of 2-methylcarbamazepine, a new internal standard for chromatographic assays of carbamazepine (Tegretol)". . p. 257 - 262,258,261. Retrieved 1979.
• 2、 Torisawa, Yasuhiro,Hashimoto, Akihiro,Furuta, Takuya,Minamikawa, Jun-Ichi. "Investigation on the coupling reactions of aryltriflates with aromatic amines: Selection of the metal catalyst". . p. 1821 - 1824. Retrieved 1997.
• 3、 Veisi, Hojat,Neyestani, Narges,Pirhayati, Mozhgan,Ahany Kamangar, Sheida,Lotfi, Shahram,Tamoradi, Taiebeh,Karmakar, Bikash. "Copper nanoparticle anchored biguanidine-modified Zr-UiO-66 MOFs: a competent heterogeneous and reusable nanocatalyst in Buchwald-Hartwig and Ullmann type coupling reactions". . p. 22278 - 22286. Retrieved 2021/07/02.
• 4、 Chen, Ming-Tsz,Hsu, Yu-Cheng. "N-Heterocyclic Carbene Palladium(II) Amine Complexes: The Role of Primary Aryl- or Alkylamine Binding and Applications in the Buchwald-Hartwig Amination Reaction". supporting information. . Retrieved 2021/12/24.