N-Benzyl-4-toluidine

Base Information

• Chemical Name: N-Benzyl-4-toluidine
• CAS No.: 5405-15-2
• Molecular Formula: C14H15 N
• Molecular Weight: 197.28
• Hs Code.: 2921430090
• European Community (EC) Number: 226-455-7
• NSC Number: 8084
• UNII: X1UCI3S8J8
• DSSTox Substance ID: DTXSID10202376
• Nikkaji Number: J217.966K
• ChEMBL ID: CHEMBL237424
• Mol file: 5405-15-2.mol

Synonyms:N-(4-methylphenyl)benzenemethanamine;N-benzyl-4-methylaniline;N-benzyl-4-toluidine;NB4MA

Chemical Property of N-Benzyl-4-toluidine

Chemical Property:

• Vapor Pressure: 0.000347mmHg at 25°C
• Melting Point: 19.5°C
• Refractive Index: 1.5832
• Boiling Point: 319.1°Cat760mmHg
• PKA: 4.37±0.20(Predicted)
• Flash Point: 152.8°C
• PSA: 12.03000
• Density: 1.061g/cm³
• LogP: 3.68010
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 197.120449483
• Heavy Atom Count: 15
• Complexity: 164

Purity/Quality:

97% ^*data from raw suppliers

Benzenemethanamine,N-(4-methylphenyl)- 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NCC2=CC=CC=C2

Technology Process of N-Benzyl-4-toluidine

There total 104 articles about N-Benzyl-4-toluidine 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) + benzylamine (100-46-9) → N-benzyl-N-(4-methylphenyl)amine (5405-15-2)

Guidance literature:

With 4-(2-(dicyclohexylphosphanyl)phenyl)-1,2,3-triphenyl-1H-pyrrole; bis(dibenzylideneacetone)-palladium⁽⁰⁾; sodium t-butanolate; In 1,4-dioxane; water; at 20 ℃; for 1.16667h; Reagent/catalyst; Inert atmosphere; Sealed tube; Reflux;

Reference yield: 98.0%

p-toluidine (106-49-0,12221-03-3) + benzyl alcohol (100-51-6,185532-71-2) → N-benzyl-N-(4-methylphenyl)amine (5405-15-2)

Guidance literature:

With lithium hydroxide; In neat (no solvent); at 120 ℃; for 24h; Inert atmosphere;

DOI:10.1039/c5ra07225e

Reference yield: 97.0%

1-methyl-4-nitrobenzene (99-99-0) + benzaldehyde (100-52-7) → N-benzyl-N-(4-methylphenyl)amine (5405-15-2)

Guidance literature:

With hydrogen; In toluene; at 80 ℃; for 18h; under 15001.5 Torr; Autoclave;

DOI:10.1002/cjoc.201600903

upstream raw materials:

N-benzyl-N-nitrosobenzamide

p-toluidine

N-Benzylaniline

benzyl chloride

Downstream raw materials:

2-amino-5-methyldiphenylmethane

9-benzyl-6-methyl-1,2,3,4-tetrahydro-carbazole

benzaldehyde

benzal-p-toluidine