N-Hexyl-2-methoxy-5-nitroaniline

Base Information

• Chemical Name: N-Hexyl-2-methoxy-5-nitroaniline
• CAS No.: 114568-54-6
• Molecular Formula: C13H20N2O3
• Molecular Weight: 252.313
• DSSTox Substance ID: DTXSID00558899
• Nikkaji Number: J1.180.775E
• Wikidata: Q82441369
• Mol file: 114568-54-6.mol

Synonyms:N-Hexyl-2-methoxy-5-nitroaniline;114568-54-6;DTXSID00558899;2-methoxy-5-nitro-N-hexylaniline;AKOS006039025

Chemical Property of N-Hexyl-2-methoxy-5-nitroaniline

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 252.14739250
• Heavy Atom Count: 18
• Complexity: 243

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCNC1=C(C=CC(=C1)[N+](=O)[O-])OC

Technology Process of N-Hexyl-2-methoxy-5-nitroaniline

There total 4 articles about N-Hexyl-2-methoxy-5-nitroaniline 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: 85.0%

hexan-1-amine (111-26-2) + 3,4-dimethoxynitrobenzene (709-09-1) → 5-nitroguaiacol (636-93-1) + N-(1-hexyl)-2-methoxy-5-nitroaniline (114568-54-6)

Guidance literature:

With water; at 20 ℃; for 1h; Irradiation;

DOI:10.1016/S0040-4020(99)00735-8

Reference yield: 17.0%

hexan-1-amine (111-26-2) + 2-fluoro-1-methoxy-4-nitrobenzene (455-93-6) → 3,4-dimethoxynitrobenzene (709-09-1) + 5-nitroguaiacol (636-93-1) + N-hexyl-2-fluoro-4-nitroaniline (124431-95-4) + N-(1-hexyl)-2-methoxy-5-nitroaniline (114568-54-6)

Guidance literature:

In methanol; water; for 1h; Product distribution; Quantum yield; Ambient temperature; Irradiation; different nucleophiles, solvents, reaction times and temperatures, without or with irradiation;

DOI:10.1016/S0040-4020(01)85796-3

Reference yield:

hexan-1-amine (111-26-2) + 2-fluoro-1-methoxy-4-nitrobenzene (455-93-6) → N-(1-hexyl)-2-methoxy-5-nitroaniline (114568-54-6)

Guidance literature:

In acetonitrile; for 0.5h; Irradiation;

DOI:10.1016/S0040-4020(01)85819-1

upstream raw materials:

hexan-1-amine

3,4-dimethoxynitrobenzene

2-fluoro-1-methoxy-4-nitrobenzene