N-(pyridin-4-ylmethyl)aniline

Base Information

• Chemical Name: N-(pyridin-4-ylmethyl)aniline
• CAS No.: 3034-32-0
• Molecular Formula: C12H12N2
• Molecular Weight: 184.241
• DSSTox Substance ID: DTXSID801306625
• Nikkaji Number: J1.392.986F
• ChEMBL ID: CHEMBL406449
• Mol file: 3034-32-0.mol

Synonyms:N-(pyridin-4-ylmethyl)aniline

Chemical Property of N-(pyridin-4-ylmethyl)aniline

Chemical Property:

• Melting Point: 100 - 102 °C
• PSA: 24.92000
• LogP: 2.76670
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 184.100048391
• Heavy Atom Count: 14
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

Phenyl-pyridin-4-ylmethyl-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of N-(pyridin-4-ylmethyl)aniline

There total 15 articles about N-(pyridin-4-ylmethyl)aniline 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: 100.0%

pyridine-4-carbaldehyde (872-85-5) + aniline (62-53-3) → N-((pyridin-4-yl)methyl)benzenamine (3034-32-0)

Guidance literature:

With phosphotungstic acid; sodium tetrahydroborate; In methanol;

DOI:10.1016/j.tetlet.2006.12.069

Reference yield: 95.0%

pyridine-4-methanol (586-95-8) + aniline (62-53-3) → N-((pyridin-4-yl)methyl)benzenamine (3034-32-0)

Guidance literature:

With Ru(OH)_x/Al₂O₃; In 1,3,5-trimethyl-benzene; at 132 ℃; for 24h; under 760.051 Torr; Inert atmosphere;

DOI:10.1016/j.jcat.2009.01.020

Reference yield: 94.0%

(E)-N-phenyl-1-(pyridin-4-yl)methanimine (82299-14-7) → N-((pyridin-4-yl)methyl)benzenamine (3034-32-0)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃;

DOI:10.1016/j.bmc.2007.10.034

upstream raw materials:

4-(Chloromethyl)pyridine

aniline

N-phenylpyridine-4-carbothioamide

diethyl ((phenylamino)(pyridin-4-yl)methyl)phosphonate

Downstream raw materials:

4-oxo-4-[phenyl(pyridin-4-ylmethyl)amino]butanoic acid

(2E)-N-[6-(tert-butyldimethylsilyloxymethyl)-11-({4-oxo-4-[phenyl(pyridin-4-ylmethyl)amino]butanoyl}amino)undecyl]-N'-(2,2-diphenylethyl)but-2-enediamide