2-(4-Nitrophenyl)-4H-chromen-4-one

Base Information

• Chemical Name: 2-(4-Nitrophenyl)-4H-chromen-4-one
• CAS No.: 19725-49-6
• Molecular Formula: C15H9NO4
• Molecular Weight: 267.241
• DSSTox Substance ID: DTXSID40347522
• Nikkaji Number: J374.382I
• Wikidata: Q27452469
• Pharos Ligand ID: SC6WHX9C5XRJ
• ChEMBL ID: CHEMBL64780

Synonyms:2-(4-Nitrophenyl)-4H-chromen-4-one;4'-Nitroflavone;19725-49-6;CHEMBL64780;4l0t;4H-1-Benzopyran-4-one, 2-(4-nitrophenyl)-;Oprea1_401208;SCHEMBL7568626;DTXSID40347522;2-(4-Nitro-phenyl)-chromen-4-one;BDBM50011421;AKOS001041826;2-(4-Nitrophenyl)-4H-chromen-4-one #;EN300-18222557;Q27452469;Z57008989;1V0

Chemical Property of 2-(4-Nitrophenyl)-4H-chromen-4-one

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 267.05315777
• Heavy Atom Count: 20
• Complexity: 432

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of 2-(4-Nitrophenyl)-4H-chromen-4-one

There total 45 articles about 2-(4-Nitrophenyl)-4H-chromen-4-one 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: 96.0%

1-(2-hydroxy-phenyl)-3-(4-nitro-phenyl)-propane-1,3-dione (84634-64-0) → 4'-nitroflavone (19725-49-6)

Guidance literature:

copper dichloride; In ethanol; for 0.0833333h; microwave irradiation;

DOI:10.1016/j.tetlet.2005.07.038

Reference yield: 96.0%

4'-nitroflavanone (3034-09-1,127089-56-9,140631-45-4) → 4'-nitroflavone (19725-49-6)

Guidance literature:

With thallium(III) acetate; In acetic acid; for 3h; Heating;

Reference yield: 95.0%

4-Nitrophenacyl bromide (99-81-0) + salicylaldehyde (90-02-8) → 4'-nitroflavone (19725-49-6)

Guidance literature:

With 1,3-dibenzyl-1H-benzo[d]imidazol-3-ium chloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; tert-butyl alcohol; at 20 ℃; for 5h; Inert atmosphere;

DOI:10.1002/ejoc.201701435

upstream raw materials:

1-[2-(4-nitrobenzoyloxy)-phenyl]-ethanone

1-(2-hydroxy-phenyl)-3-(4-nitro-phenyl)-propane-1,3-dione

methanol

2,2,2-trifluoroethanol

Downstream raw materials:

4'-Aminoflavone

1a,7a-Dihydro-1a-(4-nitrophenyl)-7H-oxireno<1>benzopyran-7-one

5-(2-hydroxyphenyl)-3-(4-nitro-phenyl)-isoxazole

3-(2-hydroxyphenyl)-5-(4-nitrophenyl)-isoxazole

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