4,5-Dinitro-9-oxo-9H-fluorene-2,7-dicarboxamide

Base Information

• Chemical Name: 4,5-Dinitro-9-oxo-9H-fluorene-2,7-dicarboxamide
• CAS No.: 213598-63-1
• Molecular Formula: C₁₅H₈N₄O₇
• Molecular Weight: 356.251
• DSSTox Substance ID: DTXSID20384354
• Nikkaji Number: J1.270.571I
• Wikidata: Q82176440
• ChEMBL ID: CHEMBL263197
• Mol file: 213598-63-1.mol

Synonyms:4,5-Dinitro-9-oxo-9H-fluorene-2,7-dicarboxamide;213598-63-1;4,5-dinitro-9-oxofluorene-2,7-dicarboxamide;CHEMBL263197;DTXSID20384354;CCG-41762;AKOS015961106;AC-12963;SR-01000631816-1

Chemical Property of 4,5-Dinitro-9-oxo-9H-fluorene-2,7-dicarboxamide

Chemical Property:

• Vapor Pressure: 5.61E-14mmHg at 25°C
• Melting Point: >300 °C (decomp)
• Refractive Index: 1.761
• Boiling Point: 591.8°Cat760mmHg
• PKA: 13.43±0.20(Predicted)
• Flash Point: 311.7°C
• PSA: 196.87000
• Density: 1.73g/cm³
• LogP: 3.72700
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 356.03929861
• Heavy Atom Count: 26
• Complexity: 629

Purity/Quality:

97% ^*data from raw suppliers

4,5-DINITRO-9-OXO-9H-FLUORENE-2,7-DICARBOXAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C2=C1C(=O)C3=C2C(=CC(=C3)C(=O)N)[N+](=O)[O-])[N+](=O)[O-])C(=O)N

Technology Process of 4,5-Dinitro-9-oxo-9H-fluorene-2,7-dicarboxamide

There total 3 articles about 4,5-Dinitro-9-oxo-9H-fluorene-2,7-dicarboxamide 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:

4,5-dinitrofluoren-9-one-2,7-dicarboxylic acid (24867-37-6) → 4,5-dinitrofluoren-9-one-2,7-dicarboxamide (213598-63-1)

Guidance literature:

With thionyl chloride; ammonia; Yield given. Multistep reaction; 1) reflux, 2) dioxane;

DOI:10.1021/jo9803481

Reference yield:

2,7-diacetylfluorene (961-27-3) → 4,5-dinitrofluoren-9-one-2,7-dicarboxamide (213598-63-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 92.8 percent / aq. nitric acid / 5 h / Heating

2: 75.8 percent / conc. HNO₃, conc. H₂SO₄ / 2 h / Heating

3: 1) SOCl₂, 2) NH₃ gas / 1) reflux, 2) dioxane

With thionyl chloride; sulfuric acid; ammonia; nitric acid;

DOI:10.1021/jo9803481

Reference yield:

9-oxo-9H-fluorene-2,7-dicarboxylic acid (792-26-7) → 4,5-dinitrofluoren-9-one-2,7-dicarboxamide (213598-63-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 75.8 percent / conc. HNO₃, conc. H₂SO₄ / 2 h / Heating

2: 1) SOCl₂, 2) NH₃ gas / 1) reflux, 2) dioxane

With thionyl chloride; sulfuric acid; ammonia; nitric acid;

DOI:10.1021/jo9803481

upstream raw materials:

4,5-dinitrofluoren-9-one-2,7-dicarboxylic acid

2,7-diacetylfluorene

9-oxo-9H-fluorene-2,7-dicarboxylic acid

Refernces