(4-Methoxybenzyl)(4-nitrobenzyl)amine

Base Information

• Chemical Name: (4-Methoxybenzyl)(4-nitrobenzyl)amine
• CAS No.: 418784-70-0
• Molecular Formula: C₁₅H₁₆N₂O₃
• Molecular Weight: 272.304
• DSSTox Substance ID: DTXSID90357939
• Nikkaji Number: J2.108.638J
• Wikidata: Q82138141
• Mol file: 418784-70-0.mol

Synonyms:418784-70-0;CHEMBRDG-BB 5560440;N-(4-Methoxybenzyl)-1-(4-nitrophenyl)methanamine;(4-METHOXYBENZYL)(4-NITROBENZYL)AMINE;CBMicro_025754;Oprea1_442843;1-(4-methoxyphenyl)-N-(4-nitrobenzyl)methanamine;DTXSID90357939;CCG-11662;STK145729;AKOS000256271;BIM-0025842.P001;N-(4-METHOXYBENZYL)(4-NITROPHENYL)METHANAMINE

Chemical Property of (4-Methoxybenzyl)(4-nitrobenzyl)amine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 429.139°C at 760 mmHg
• Flash Point: 213.336°C
• Density: 1.196g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 272.11609238
• Heavy Atom Count: 20
• Complexity: 290

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CNCC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of (4-Methoxybenzyl)(4-nitrobenzyl)amine

There total 6 articles about (4-Methoxybenzyl)(4-nitrobenzyl)amine 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: 91.0%

(E)-1-(4-methoxyphenyl)-N-(4-nitrobenzylidene)methanamine → N-(4-methoxybenzyl)-1-(4-nitrophenyl)methanamine (418784-70-0)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 23 ℃; for 15h; Inert atmosphere;

DOI:10.1016/j.tet.2011.07.065

Reference yield: 82.0%

4-nitrobenzaldehdye (555-16-8) + 4-methoxy-benzylamine (2393-23-9) → N-(4-methoxybenzyl)-1-(4-nitrophenyl)methanamine (418784-70-0)

Guidance literature:

With N-1-phenyl-benzotriazole-N-3-borane; In 1,2-dichloro-ethane; at 20 ℃; for 3h;

DOI:10.1039/b915361f

Reference yield: 62.0%

4-methoxy-benzylamine (2393-23-9) + 1-bromomethyl-4-nitro-benzene (100-11-8) → N-(4-methoxybenzyl)-1-(4-nitrophenyl)methanamine (418784-70-0)

Guidance literature:

4-methoxy-benzylamine; With caesium carbonate; In N,N-dimethyl-formamide; at 25 ℃; for 0.5h;

1-bromomethyl-4-nitro-benzene; In N,N-dimethyl-formamide; at 25 ℃; for 24h; chemoselective reaction; Microwave irradiation;

DOI:10.1002/ejoc.201600549

upstream raw materials:

4-nitrobenzyl chloride

4-methoxy-benzylamine

4-nitrobenzaldehdye

1-bromomethyl-4-nitro-benzene