N,N-Dibenzylaniline

Base Information

• Chemical Name: N,N-Dibenzylaniline
• CAS No.: 91-73-6
• Molecular Formula: C20H19N
• Molecular Weight: 273.378
• Hs Code.: 2921420090
• European Community (EC) Number: 202-093-5
• NSC Number: 6243
• UNII: 6GF9B456WW
• DSSTox Substance ID: DTXSID5059030
• Nikkaji Number: J37.749J
• Wikipedia: N,N-Dibenzylaniline,Dibenzylaniline
• Wikidata: Q81988646
• Mol file: 91-73-6.mol

Synonyms:N,N-Dibenzylaniline;91-73-6;Dibenzylaniline;N-Phenyldibenzylamine;Benzenemethanamine, N-phenyl-N-(phenylmethyl)-;Aniline, N,N-dibenzyl-;Dibenzylamine, N-phenyl-;NSC 6243;Benzenamine, N,N-bis(phenylmethyl)-;Dibenzylaniline, N,N-bis(phenylmethyl)-;6GF9B456WW;NSC-6243;EINECS 202-093-5;AI3-00848;Dibenzylanilin;n,n-dibenzylanilin;NSC6243;Aniline, dibenzyl-;Aniline,N-dibenzyl-;N,N-dibenzyl-aniline;N,N-dibenzylbenzenamine;Maybridge1_002598;UNII-6GF9B456WW;Oprea1_063741;SCHEMBL43183;Aniline, N,N-bis(benzyl)-;DivK1c_001350;N,N-Dibenzyl-N-phenylamine #;DTXSID5059030;HMS548O02;Benzenamine,N-bis(phenylmethyl)-;ADAL1038582;Dibenzylaniline,N-bis(phenylmethyl)-;MFCD00022015;STK368412;AKOS005444232;CDS1_000310;AS-57150;N-Phenyl-N-(phenylmethyl)benzenemethanamine;5-BROMO-6-CHLORO-3-INDOLYLCAPRYLATE;CS-0156317;D0154;D97707;A844053

Chemical Property of N,N-Dibenzylaniline

Chemical Property:

• Vapor Pressure: 1.08E-07mmHg at 25°C
• Melting Point: 70 °C
• Refractive Index: 1.639
• Boiling Point: 432.8 °C at 760 mmHg
• PKA: 3.66±0.50(Predicted)
• Flash Point: 174 °C
• PSA: 3.24000
• Density: 1.098 g/cm³
• LogP: 4.89340
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 273.151749610
• Heavy Atom Count: 21
• Complexity: 250

Purity/Quality:

97% ^*data from raw suppliers

N,N-Dibenzylaniline >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC=CC=C3

Technology Process of N,N-Dibenzylaniline

There total 99 articles about N,N-Dibenzylaniline 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: 96.0%

nitrobenzene (98-95-3,26969-40-4) + benzyl alcohol (100-51-6,185532-71-2) → N,N-dibenzylaniline (91-73-6)

Guidance literature:

With Au/Fe₂O₃; at 160 ℃; for 15h; chemoselective reaction; Inert atmosphere;

DOI:10.1039/c1cc11057h

Reference yield: 94.0%

aniline (62-53-3) + benzyl alcohol (100-51-6,185532-71-2) → N,N-dibenzylaniline (91-73-6)

Guidance literature:

With Cu₂Al₃Ox-HT; In toluene; at 160 ℃; for 24h; Sealed tube; Inert atmosphere;

DOI:10.1039/c5cc02205c

Reference yield: 88.0%

nitrobenzene (98-95-3,26969-40-4) + benzyl alcohol (100-51-6,185532-71-2) → N,N-dibenzylaniline (91-73-6) + benzoic acid benzyl ester (120-51-4) + benzaldehyde (100-52-7)

Guidance literature:

With carbonyl bis(hydrido)tris(triphenylphosphine)ruthenium(II); 1,3-bis(mesityl)imidazolium chloride; at 150 ℃; for 16h; Inert atmosphere;

DOI:10.1021/ol1020527

upstream raw materials:

N-allyl-N-phenylamine

benzyl chloride

aniline

N-Benzylaniline

Downstream raw materials:

benzoic acid-(2-dibenzylamino-anilide)

N,N-dibenzyl-p-phenylenediamine

p-(3-methyl-3-hydroxy-1-butynyl)-N,N-dibenzylaniline

4-(N,N-dibenzylamino)-1-ethynylbenzene

Refernces

• 1、 Neerathilingam, Nalladhambi,Bhargava Reddy, Mandapati,Anandhan, Ramasamy. "Regioselective Synthesis of 2° Amides Using Visible-Light-Induced Photoredox-Catalyzed Nonaqueous Oxidative C-N Cleavage of N, N-Dibenzylanilines". supporting information. p. 15117 - 15127. Retrieved 2021/10/25.
• 2、 -. "Preparation method of N-alkylated derivative of primary amine compound". Paragraph 0021; 0058. . Retrieved 2021/07/09.