N-[(4-methoxyphenyl)methyl]-3-nitropyridin-2-amine

Base Information

• Chemical Name: N-[(4-methoxyphenyl)methyl]-3-nitropyridin-2-amine
• CAS No.: 99944-06-6
• Molecular Formula: C₁₃H₁₃N₃O₃
• Molecular Weight: 259.265
• ChEMBL ID: CHEMBL1345325
• DSSTox Substance ID: DTXSID401320091
• Mol file: 99944-06-6.mol

Synonyms:N-[(4-methoxyphenyl)methyl]-3-nitropyridin-2-amine;99944-06-6;N-(4-methoxybenzyl)-3-nitro-2-pyridinamine;Oprea1_706184;MLS001166445;SCHEMBL9536527;CHEMBL1345325;DTXSID401320091;HMS2854N15;AKOS001505414;8F-309S;CCG-133583;SMR000549690;CS-0367886;N-(4-methoxybenzyl)-3-nitropyridin-2-amine;Z31235223

Chemical Property of N-[(4-methoxyphenyl)methyl]-3-nitropyridin-2-amine

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 259.09569129
• Heavy Atom Count: 19
• Complexity: 287

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CNC2=C(C=CC=N2)[N+](=O)[O-]

Technology Process of N-[(4-methoxyphenyl)methyl]-3-nitropyridin-2-amine

There total 1 articles about N-[(4-methoxyphenyl)methyl]-3-nitropyridin-2-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: 92.02%

2-Chloro-3-nitropyridine (5470-18-8,34515-82-7) + 4-methoxy-benzylamine (2393-23-9) → N-(4-methoxybenzyl)-3-nitropyridin-2-amine (99944-06-6)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In isopropyl alcohol; at 100 ℃; for 12h;

Reference yield: 79.54%

N-(4-methoxybenzyl)-3-nitropyridin-2-amine (99944-06-6) → N-(4-methoxybenzyl)pyridine-2,3-diamine (99944-07-7)

Guidance literature:

With ammonium chloride; zinc; In tetrahydrofuran; water; at 0 - 60 ℃; for 3h;

Reference yield:

N-(4-methoxybenzyl)-3-nitropyridin-2-amine (99944-06-6) → C14H13N3O

Guidance literature:

Multi-step reaction with 2 steps

1: palladium on activated charcoal; hydrogen

2: Inert atmosphere

With palladium on activated charcoal; hydrogen;

DOI:10.1071/CH15420

upstream raw materials:

2-Chloro-3-nitropyridine

4-methoxy-benzylamine

Downstream raw materials:

N-(4-methoxybenzyl)pyridine-2,3-diamine