4-Hydroxydibenzo[b,f][1,4]oxazepin-11(10H)-one

Base Information

• Chemical Name: 4-Hydroxydibenzo[b,f][1,4]oxazepin-11(10H)-one
• CAS No.: 60287-09-4
• Molecular Formula: C₁₃H₉NO₃
• Molecular Weight: 227.219
• DSSTox Substance ID: DTXSID20484489
• Wikidata: Q82322909
• Mol file: 60287-09-4.mol

Synonyms:60287-09-4;4-Hydroxydibenz[b,f][1,4]oxazepin-11(10H)-one;4-Hydroxydibenzo[b,f][1,4]oxazepin-11(10H)-one;10-hydroxy-5H-benzo[b][1,4]benzoxazepin-6-one;DTXSID20484489;FT-0669539

Chemical Property of 4-Hydroxydibenzo[b,f][1,4]oxazepin-11(10H)-one

Chemical Property:

• PSA: 62.05000
• LogP: 2.56980
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 227.058243149
• Heavy Atom Count: 17
• Complexity: 307

Purity/Quality:

99% ^*data from raw suppliers

4-Hydroxydibenz[b,f][1,4]oxazepin-11(10H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=O)C3=C(O2)C(=CC=C3)O
• Uses: A metabolite of Dibenzoxazepine.

Technology Process of 4-Hydroxydibenzo[b,f][1,4]oxazepin-11(10H)-one

There total 2 articles about 4-Hydroxydibenzo[b,f][1,4]oxazepin-11(10H)-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:

4-methoxy-10H-dibenzo[b,f][1,4]oxazepin-11-one (60287-34-5) → 4-Hydroxy-dibenz<1,4>oxazepin-11(1OH)-on (60287-09-4)

Guidance literature:

With sodium thioethylate; In N,N-dimethyl-formamide;

DOI:10.1039/P19760001286

Reference yield:

2-(2-amino-phenoxy)-3-methoxy-benzoic acid (60287-28-7) → 4-Hydroxy-dibenz<1,4>oxazepin-11(1OH)-on (60287-09-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 200 °C

2: NaSEt / dimethylformamide

With sodium thioethylate; In N,N-dimethyl-formamide;

DOI:10.1039/P19760001286

Reference yield:

2,3,4,6-tetra-O-benzyl-α-D-glucopyranosyl bromide (4196-35-4) + 4-Hydroxy-dibenz<1,4>oxazepin-11(1OH)-on (60287-09-4) → 4-(tetra-O-benzyl-β-D-glucopyranosyloxy)-10H-dibenzo[b,f][1,4]oxazepin-11-one (74256-85-2)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; Ambient temperature;

DOI:10.1016/S0040-4039(01)86787-3

upstream raw materials:

4-methoxy-10H-dibenzo[b,f][1,4]oxazepin-11-one

2-(2-amino-phenoxy)-3-methoxy-benzoic acid

Downstream raw materials:

4-(tetra-O-benzyl-β-D-glucopyranosyloxy)-10H-dibenzo[b,f][1,4]oxazepin-11-one

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