2-(3,4-dimethoxyphenyl)-3-nitro-2H-chromene

Base Information

• Chemical Name: 2-(3,4-dimethoxyphenyl)-3-nitro-2H-chromene
• CAS No.: 81289-17-0
• Molecular Formula: C17H15NO5
• Molecular Weight: 313.31
• DSSTox Substance ID: DTXSID50402398
• Mol file: 81289-17-0.mol

Synonyms:2-(3,4-dimethoxyphenyl)-3-nitro-2H-chromene;81289-17-0;ST038616;Oprea1_147391;DTXSID50402398;STK766424;AKOS001731951;EU-0086257;SR-01000536039;SR-01000536039-1

Chemical Property of 2-(3,4-dimethoxyphenyl)-3-nitro-2H-chromene

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 313.09502258
• Heavy Atom Count: 23
• Complexity: 460

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2C(=CC3=CC=CC=C3O2)[N+](=O)[O-])OC

Technology Process of 2-(3,4-dimethoxyphenyl)-3-nitro-2H-chromene

There total 5 articles about 2-(3,4-dimethoxyphenyl)-3-nitro-2H-chromene 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: 90.0%

1,2-dimethoxy-4-(2-nitro-vinyl)-benzene (4230-93-7) + salicylaldehyde (90-02-8) → 3-nitro-2-(3,4-dimethoxyphenyl)-2H-chromene (81289-17-0)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; at 40 ℃; for 4h;

DOI:10.1016/j.ejmech.2014.09.017

Reference yield: 86.0%

C17H15NO6 → 3-nitro-2-(3,4-dimethoxyphenyl)-2H-chromene (81289-17-0)

Guidance literature:

With sodium iodide; tin(ll) chloride; In ethanol; for 0.166667h; Reflux; Green chemistry;

DOI:10.1055/s-0034-1378821

Reference yield: 64.5%

3,4-dimethoxynitrostyrene (4230-93-7,22568-47-4) + salicylaldehyde (90-02-8) → 3-nitro-2-(3,4-dimethoxyphenyl)-2H-chromene (81289-17-0)

Guidance literature:

With triethylamine; for 24h; Ambient temperature;

upstream raw materials:

3,4-dimethoxynitrostyrene

salicylaldehyde

1,2-dimethoxy-4-(2-nitro-vinyl)-benzene

3,4-dimethoxy-benzaldehyde

Downstream raw materials:

2-[2-Amino-3-(3,4-dimethoxy-phenyl)-propyl]-phenol

2-(3,4-dimethoxyphenyl)-3-hydroxy-4H-chromen-4-one