5-Acetyl-5H-dibenzo[b,f]azepin-10(11H)-one

Base Information

• Chemical Name: 5-Acetyl-5H-dibenzo[b,f]azepin-10(11H)-one
• CAS No.: 28291-63-6
• Molecular Formula: C16H13NO2
• Molecular Weight: 251.285
• Hs Code.: 2933990090
• Mol file: 28291-63-6.mol

Synonyms:5-Acetyl-5H-dibenzo[b,f]azepin-10(11H)-one;5-Acetyl-5,11-dihydro-10H-dibenz[b,f]azepin-10-one

Chemical Property of 5-Acetyl-5H-dibenzo[b,f]azepin-10(11H)-one

Chemical Property:

• Boiling Point: 513.5±40.0 °C(Predicted)
• PKA: -4.58±0.20(Predicted)
• PSA: 37.38000
• Density: 1.240±0.06 g/cm3(Predicted)
• LogP: 3.17500

Purity/Quality:

>95% ^*data from raw suppliers

5-Acetyl-5,11-dihydro-10H-dibenz[b,f]azepin-10-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Impurity of Oxcarbazepine (O869250), an anticonvulsant and metabolite of Eslicarbazepine acetate, (BIA 2-093), a novel central nervous system drug.

Technology Process of 5-Acetyl-5H-dibenzo[b,f]azepin-10(11H)-one

There total 3 articles about 5-Acetyl-5H-dibenzo[b,f]azepin-10(11H)-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: 81.0%

5-acetyl-10,11-epoxy-10,11-dihydro-5H-dibenzazepine (66849-39-6) → 5-acetyl-10-oxo-10,11-dihydro-5H-dibenzazepine (28291-63-6)

Guidance literature:

With lithium iodide; In chloroform; at 60 ℃; for 1h; Inert atmosphere;

Reference yield:

N-acetyl iminostilbene (19209-60-0) → 5-acetyl-10-oxo-10,11-dihydro-5H-dibenzazepine (28291-63-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 75.1 percent / NaOCl, silica gel / acetonitrile / 1.5 h / Heating

2: 67 percent / LiI / CHCl₃ / 0.33 h / Heating

With sodium hypochlorite; silica gel; lithium iodide; In chloroform; acetonitrile;

DOI:10.1080/00397919408012646

Reference yield:

dibenzoazepine (256-96-2) → 5-acetyl-10-oxo-10,11-dihydro-5H-dibenzazepine (28291-63-6)

Guidance literature:

Multi-step reaction with 3 steps

1: toluene / 2 h / 80 °C / Inert atmosphere

2: 3-chloro-benzenecarboperoxoic acid; sodium hypochlorite; silica gel / acetonitrile / 2 h / 80 °C / Inert atmosphere

3: lithium iodide / chloroform / 1 h / 60 °C / Inert atmosphere

With sodium hypochlorite; silica gel; 3-chloro-benzenecarboperoxoic acid; lithium iodide; In chloroform; toluene; acetonitrile;

upstream raw materials:

5-acetyl-10,11-epoxy-10,11-dihydro-5H-dibenzazepine

N-acetyl iminostilbene

dibenzoazepine

Downstream raw materials:

10,11-dihydro-5H-dibenzo[b,f]azepin-10-one

C₂₆H₁₈N₂

10-methoxy-5H-dibenzo[b,f]azepine

5-acetyl-10-methoxy-5H-dibenzazepine

Refernces

• 1、 -. "ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME". Paragraph 0131-0134. . Retrieved 2016/10/08.