2,5,7-Trinitro-9-oxo-9H-fluorene-4-carboxylic acid methyl ester

Base Information

• Chemical Name: 2,5,7-Trinitro-9-oxo-9H-fluorene-4-carboxylic acid methyl ester
• CAS No.: 24867-50-3
• Molecular Formula: C15H7N3O9
• Molecular Weight: 373.23100
• DSSTox Substance ID: DTXSID90399733
• Nikkaji Number: J2.284.623J
• Wikidata: Q82202440
• Mol file: 24867-50-3.mol

Synonyms:24867-50-3;2,5,7-Trinitro-9-oxo-9H-fluorene-4-carboxylic acid methyl ester;methyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate;AK-249/36497001;9H-Fluorene-4-carboxylic acid, 2,5,7-trinitro-9-oxo-, methyl ester;DTXSID90399733;J-015706;methyl 2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylate;methyl 2,5,7-trisnitro-9-oxo-9H-fluorene-4-carboxylate

Chemical Property of 2,5,7-Trinitro-9-oxo-9H-fluorene-4-carboxylic acid methyl ester

Chemical Property:

• Vapor Pressure: 4.79E-13mmHg at 25°C
• Boiling Point: 570.9oC at 760 mmHg
• Flash Point: 257.6oC
• PSA: 180.83000
• Density: 1.62g/cm3
• LogP: 3.97880
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 373.01822881
• Heavy Atom Count: 27
• Complexity: 694

Purity/Quality:

98%Min ^*data from raw suppliers

2,5,7-TRINITRO-9-OXO-9H-FLUORENE-4-CARBOXYLIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=CC2=C1C3=C(C2=O)C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 2,5,7-Trinitro-9-oxo-9H-fluorene-4-carboxylic acid methyl ester

There total 5 articles about 2,5,7-Trinitro-9-oxo-9H-fluorene-4-carboxylic acid methyl ester 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: 51.0%

methanol (67-56-1) + 2,5,7-yrinitro-9-oxofluorene-4-carboxylic acid hydrochloride (108653-42-5) → methyl 2,5,7-trinitrofluoren-9-one-4-carboxylate (24867-50-3)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In toluene; at 65 ℃; for 20h;

DOI:10.1016/j.tet.2005.07.124

Reference yield: 43.0%

2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylic acid (24929-26-8) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 2,5,7-trinitrofluoren-9-one-4-carboxylate (24867-50-3)

Guidance literature:

In methanol; diethyl ether; toluene; at 20 ℃; for 1h;

DOI:10.1002/ejoc.201000729

Reference yield:

9-oxo-9H-fluorene-4-carboxylic acid (6223-83-2) → methyl 2,5,7-trinitrofluoren-9-one-4-carboxylate (24867-50-3)

Guidance literature:

Multi-step reaction with 2 steps

1: NO₂/HNO₃, H₂SO₄

2: H₂SO₄

With sulfuric acid; nitric acid; Nitrogen dioxide;

DOI:10.1021/jo00833a064

upstream raw materials:

methanol

2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylic acid

2,5,7-yrinitro-9-oxofluorene-4-carboxylic acid hydrochloride

9-oxo-9H-fluorene-4-carboxylic acid