11-Keto Oxcarbazepine

Base Information

• Chemical Name: 11-Keto Oxcarbazepine
• CAS No.: 537693-29-1
• Molecular Formula: C15H10N2O3
• Molecular Weight: 266.2515
• UNII: 545F679M12
• DSSTox Substance ID: DTXSID00202042
• Nikkaji Number: J1.879.203F
• Wikidata: Q27261171
• Mol file: 537693-29-1.mol

Synonyms:11-Keto Oxcarbazepine;537693-29-1;5,6-dioxobenzo[b][1]benzazepine-11-carboxamide;UNII-545F679M12;Oxcarbazepine specified impurity I [EP];545F679M12;10,11-Dioxo-10,11-dihydro-5H-dibenzo(b,f)azepine-5-carboxamide;5H-Dibenz(b,f)azepine-5-carboxamide, 10,11-dihydro-10,11-dioxo-;10,11-Dioxo-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide;DTXSID00202042;NS00121745;OXCARBAZEPINE IMPURITY I [EP IMPURITY];A1-01183;Q27261171

Chemical Property of 11-Keto Oxcarbazepine

Chemical Property:

• Boiling Point: 482.6±38.0 °C(Predicted)
• PKA: 13.51±0.20(Predicted)
• PSA: 83.15000
• Density: 1.429±0.06 g/cm3(Predicted)
• LogP: 1.95550
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 266.06914219
• Heavy Atom Count: 20
• Complexity: 414

Purity/Quality:

99.0% Min ^*data from raw suppliers

11-KetoOxcarbazepine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(=O)C3=CC=CC=C3N2C(=O)N
• Uses: A keto impurity of the anticonvulsant Oxcarbazepine (O869250).

Technology Process of 11-Keto Oxcarbazepine

There total 1 articles about 11-Keto Oxcarbazepine 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:

10,11-Dihydrocarbamazepin (3564-73-6) → oxcarbazepine (28721-07-5) + 10,11-dihydro-10-hydroxy-5H-dibenz[b,f]azepine-5-carboxamide (29331-92-8) + 10,11-dioxo-10,11-dihydro-dibenzo[b,f]azepine-5-carboxylic acid amide (537693-29-1) + 10-hydroperoxy-10,11-dihydro-dibenzo[b,f]azepine-5-carboxylic acid amide

Guidance literature:

With N-hydroxyphthalimide; oxygen; benzaldehyde; nickel diacetate; In acetic acid; at 22 ℃; for 5h; under 750.06 Torr; Further Variations:; Catalysts; Reagents; Solvents; reaction time; Product distribution;

upstream raw materials:

10,11-Dihydrocarbamazepin

Refernces