Benzenemethanamine, 4,5-dimethoxy-N-(4-(4-(4-methylphenyl)-1-piperazinyl)phenyl)-2-nitro-

Base Information

• Chemical Name: Benzenemethanamine, 4,5-dimethoxy-N-(4-(4-(4-methylphenyl)-1-piperazinyl)phenyl)-2-nitro-
• CAS No.: 78933-13-8
• Molecular Formula: C26H30N4O4
• Molecular Weight: 462.5408
• DSSTox Substance ID: DTXSID70229387
• Wikidata: Q83109616
• Mol file: 78933-13-8.mol

Synonyms:BRN 4605338;78933-13-8;Benzenemethanamine, 4,5-dimethoxy-N-(4-(4-(4-methylphenyl)-1-piperazinyl)phenyl)-2-nitro-;4,5-Dimethoxy-N-(4-(4-(4-methylphenyl)-1-piperazinyl)phenyl)-2-nitrobenzenemethanamine;DTXSID70229387;LS-30462

Chemical Property of Benzenemethanamine, 4,5-dimethoxy-N-(4-(4-(4-methylphenyl)-1-piperazinyl)phenyl)-2-nitro-

Chemical Property:

• Vapor Pressure: 3.66E-18mmHg at 25°C
• Boiling Point: 676.6°Cat760mmHg
• Flash Point: 363°C
• Density: 1.239g/cm³
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 462.22670545
• Heavy Atom Count: 34
• Complexity: 623

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)NCC4=CC(=C(C=C4[N+](=O)[O-])OC)OC

Technology Process of Benzenemethanamine, 4,5-dimethoxy-N-(4-(4-(4-methylphenyl)-1-piperazinyl)phenyl)-2-nitro-

There total 5 articles about Benzenemethanamine, 4,5-dimethoxy-N-(4-(4-(4-methylphenyl)-1-piperazinyl)phenyl)-2-nitro- 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: 55.0%

[1-(4,5-Dimethoxy-2-nitro-phenyl)-meth-(E)-ylidene]-[4-(4-p-tolyl-piperazin-1-yl)-phenyl]-amine (78933-01-4) → (4,5-Dimethoxy-2-nitro-benzyl)-[4-(4-p-tolyl-piperazin-1-yl)-phenyl]-amine (78933-13-8)

Guidance literature:

With hydrazine hydrate; palladium on activated charcoal; In N,N-dimethyl-formamide; for 12h; Heating;

Reference yield:

(4-methylphenyl)piperazine (39593-08-3) → (4,5-Dimethoxy-2-nitro-benzyl)-[4-(4-p-tolyl-piperazin-1-yl)-phenyl]-amine (78933-13-8)

Guidance literature:

Multi-step reaction with 4 steps

1: 75 percent / 48 h / 120 - 140 °C

2: 85 percent / hydrazin hydrate (98 percent) / Raney nickel / dimethylformamide / 10 h / Heating

3: 65 percent / benzene / 8 h / Heating

4: 55 percent / hydrazin hydrate (98 percent) / Pd-C (10 percent) / dimethylformamide / 12 h / Heating

With hydrazine hydrate; palladium on activated charcoal; nickel; In N,N-dimethyl-formamide; benzene;

Reference yield:

4-chlorobenzonitrile (100-00-5) → (4,5-Dimethoxy-2-nitro-benzyl)-[4-(4-p-tolyl-piperazin-1-yl)-phenyl]-amine (78933-13-8)

Guidance literature:

Multi-step reaction with 4 steps

1: 75 percent / 48 h / 120 - 140 °C

2: 85 percent / hydrazin hydrate (98 percent) / Raney nickel / dimethylformamide / 10 h / Heating

3: 65 percent / benzene / 8 h / Heating

4: 55 percent / hydrazin hydrate (98 percent) / Pd-C (10 percent) / dimethylformamide / 12 h / Heating

With hydrazine hydrate; palladium on activated charcoal; nickel; In N,N-dimethyl-formamide; benzene;

upstream raw materials:

[1-(4,5-Dimethoxy-2-nitro-phenyl)-meth-(E)-ylidene]-[4-(4-p-tolyl-piperazin-1-yl)-phenyl]-amine

(4-methylphenyl)piperazine

4-chlorobenzonitrile

1-(p-Nitrophenyl)-4-(p-tolyl)piperazine