(4-Methoxy-3-nitrophenyl)methanamine

Base Information

• Chemical Name: (4-Methoxy-3-nitrophenyl)methanamine
• CAS No.: 21078-49-9
• Molecular Formula: C₈H₁₀N₂O₃
• Molecular Weight: 182.179
• DSSTox Substance ID: DTXSID601294828
• Nikkaji Number: J2.530.742I
• Mol file: 21078-49-9.mol

Synonyms:(4-methoxy-3-nitrophenyl)methanamine;21078-49-9;3-nitro-4-methoxybenzylamine;4-Methoxy-3-nitrobenzylamine;SCHEMBL4977602;DTXSID601294828;4-Methoxy-3-nitrobenzenemethanamine;EN300-58417

Chemical Property of (4-Methoxy-3-nitrophenyl)methanamine

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 182.06914219
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of (4-Methoxy-3-nitrophenyl)methanamine

There total 2 articles about (4-Methoxy-3-nitrophenyl)methanamine 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: 89.0%

4-methoxy-benzylamine (2393-23-9) → 3-nitro-4-methoxy-benzylamine (21078-49-9)

Guidance literature:

4-methoxy-benzylamine; With tert-butyl methyl ether; nitric acid; In tetrahydrofuran; at 0 ℃;

With sulfuric acid; In dichloromethane; at 0 ℃; for 1h; Further stages.;

DOI:10.1016/j.tetlet.2007.10.027

Reference yield:

→ 3-nitro-4-methoxy-benzylamine (21078-49-9)

Guidance literature:

1) N-(3-nitro-4-methoxy-benzyl)-urotropiniumchloride (VII), HCl, 2) -> hydrochlorid, K2CO3;

Reference yield:

C25H32FN3O6 + 3-nitro-4-methoxy-benzylamine (21078-49-9) → 1-butyl-7-(4-carbamoylpiperidin-1-yl)-6-fluoro-N-(4-methoxy-3-nitrobenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide (1365252-66-9)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jm101439s

upstream raw materials:

4-methoxy-benzylamine

Downstream raw materials:

1-butyl-7-(4-carbamoylpiperidin-1-yl)-6-fluoro-N-(4-methoxy-3-nitrobenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide