3',6-Dinitroflavone

Base Information

• Chemical Name: 3',6-Dinitroflavone
• CAS No.: 100914-36-1
• Molecular Formula: C15H8 N2 O6
• Molecular Weight: 312.238
• DSSTox Substance ID: DTXSID90143576
• Nikkaji Number: J819.067D
• Wikidata: Q83007518
• ChEMBL ID: CHEMBL292868
• Mol file: 100914-36-1.mol

Synonyms:3',6-dinitroflavone;6,3'-dinitroflavone;6-nitro-2-(3-nitrophenyl)-4H-1-benzopyran-4-one

Chemical Property of 3',6-Dinitroflavone

Chemical Property:

• Boiling Point: 523.9°Cat760mmHg
• Flash Point: 242°C
• PSA: 121.85000
• Density: 1.538g/cm³
• LogP: 4.32280
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 312.03823598
• Heavy Atom Count: 23
• Complexity: 549

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=O)C3=C(O2)C=CC(=C3)[N+](=O)[O-]

Technology Process of 3',6-Dinitroflavone

There total 10 articles about 3',6-Dinitroflavone 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: 91.0%

3'-nitroflavone (70460-19-4) → 6,3'-Dinitroflavone (100914-36-1)

Guidance literature:

With sulfuric acid; nitric acid; for 3h; Ambient temperature;

DOI:10.1021/jm00046a020

Reference yield: 90.0%

→ 6,3'-Dinitroflavone (100914-36-1)

Guidance literature:

Reference yield: 76.0%

2'-hydroxy-3,5'-dinitro-trans-chalcone (107916-58-5) → 6,3'-Dinitroflavone (100914-36-1)

Guidance literature:

With tert.-butylhydroperoxide; sodium tetrachloropalladate(II) trihydrate; sodium acetate; In water; acetic acid; tert-butyl alcohol; at 70 ℃; for 4h;

DOI:10.1016/j.tetlet.2009.12.107

upstream raw materials:

3'-nitroflavone

1-(2-hydroxy-5-nitrophenyl)ethanone

2'-hydroxy-3,5'-dinitro-trans-chalcone

3-nitro-benzaldehyde

Downstream raw materials:

3',6-diaminoflavone

Refernces

• 1、 -. "Use of nitroflavonoids for the treatment of anxiety". . . Retrieved 2008/06/13.
• 2、 Cushman, Mark,Zhu, Helen,Geahlen, Robert L.,Kraker, Alan J.. "Synthesis and Biochemical Evaluation of a Series of Aminoflavones as Potential Inhibitors of Protein-Tyrosine Kinases p56lek, EGFr, and p60v-src". . p. 3353 - 3362. Retrieved 2007/10/02.