1,4-Bis(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyphthalazine

Base Information

• Chemical Name: 1,4-Bis(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyphthalazine
• CAS No.: 90047-43-1
• Molecular Formula: C26H24N4O10
• Molecular Weight: 552.497
• DSSTox Substance ID: DTXSID40535043
• Wikidata: Q82409127
• Mol file: 90047-43-1.mol

Synonyms:90047-43-1;1,4-Bis(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyphthalazine;DTXSID40535043

Chemical Property of 1,4-Bis(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyphthalazine

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 552.14924298
• Heavy Atom Count: 40
• Complexity: 790

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)C(=NN=C2C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C4=CC(=C(C=C4[N+](=O)[O-])OC)OC)OC

Technology Process of 1,4-Bis(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyphthalazine

There total 3 articles about 1,4-Bis(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyphthalazine 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: 64.4%

(4,5-Dimethoxy-1,2-phenylene)bis<(2-nitro-4,5-dimethoxyphenyl)methanone> (90047-41-9) → 1,4-Bis(2-nitro-4,5-dimethoxyphenyl)-6,7-dimethoxyphthalazine (90047-43-1)

Guidance literature:

With hydrazine hydrate; In ethanol; for 10h; Heating;

DOI:10.1021/je00037a039

Reference yield:

trans-1,3-Bis(3,4-dimethoxyphenyl)-5,6-dimethoxyindane (90047-39-5) → 1,4-Bis(2-nitro-4,5-dimethoxyphenyl)-6,7-dimethoxyphthalazine (90047-43-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 33.3 percent / 65percent aq. nitric acid / acetic anhydride / 0.25 h / 0 °C

2: 26.7 percent / Na₂Cr₂O₇ / aq. acetic acid / 1.) reflux, 1 h, 2.) room temp., 2 h

3: 64.4 percent / hydrazine hydrate (85percent) / ethanol / 10 h / Heating

With sodium dichromate; nitric acid; hydrazine hydrate; In ethanol; acetic anhydride; acetic acid;

DOI:10.1021/je00037a039

Reference yield:

trans-1,3-Bis(4,5-dimethoxy-2-nitrophenyl)-5,6-dimethoxyindane (90047-40-8) → 1,4-Bis(2-nitro-4,5-dimethoxyphenyl)-6,7-dimethoxyphthalazine (90047-43-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 26.7 percent / Na₂Cr₂O₇ / aq. acetic acid / 1.) reflux, 1 h, 2.) room temp., 2 h

2: 64.4 percent / hydrazine hydrate (85percent) / ethanol / 10 h / Heating

With sodium dichromate; hydrazine hydrate; In ethanol; acetic acid;

DOI:10.1021/je00037a039

upstream raw materials:

(4,5-Dimethoxy-1,2-phenylene)bis<(2-nitro-4,5-dimethoxyphenyl)methanone>

trans-1,3-Bis(3,4-dimethoxyphenyl)-5,6-dimethoxyindane

trans-1,3-Bis(4,5-dimethoxy-2-nitrophenyl)-5,6-dimethoxyindane