9-Methoxy-2,5-dihydro-1H-1-benzazepine-6,7-dione

Base Information

• Chemical Name: 9-Methoxy-2,5-dihydro-1H-1-benzazepine-6,7-dione
• CAS No.: 169825-32-5
• Molecular Formula: C₁₁H₁₁NO₃
• Molecular Weight: 205.213
• DSSTox Substance ID: DTXSID60570633
• Mol file: 169825-32-5.mol

Synonyms:169825-32-5;9-Methoxy-2,5-dihydro-1H-1-benzazepine-6,7-dione;1H-1-Benzazepine-6,7-dione, 2,5-dihydro-9-methoxy- (9CI);DTXSID60570633

Chemical Property of 9-Methoxy-2,5-dihydro-1H-1-benzazepine-6,7-dione

Chemical Property:

• Boiling Point: 358.7±42.0 °C(Predicted)
• PKA: 1.01±0.40(Predicted)
• Density: 1.27±0.1 g/cm3(Predicted)
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 205.07389321
• Heavy Atom Count: 15
• Complexity: 416

Purity/Quality:

99% ^*data from raw suppliers

2,5-DIHYDRO-9-METHOXY-1H-1-BENZAZEPINE-6,7-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=O)C(=O)C2=C1NCC=CC2

Technology Process of 9-Methoxy-2,5-dihydro-1H-1-benzazepine-6,7-dione

There total 3 articles about 9-Methoxy-2,5-dihydro-1H-1-benzazepine-6,7-dione 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-5-(2-vinyl-aziridin-1-yl)-[1,2]benzoquinone → 5-methoxy-7,7-dihydroazepine-1-2-benzoquinone (169825-32-5)

Guidance literature:

In acetonitrile; Yield given; Ambient temperature;

DOI:10.1016/0040-4020(96)00835-6

Reference yield:

4-methoxy-5-(4-methoxyphenoxy)cyclohexa-3,5-diene-1,2-dione (99814-64-9) → 5-methoxy-7,7-dihydroazepine-1-2-benzoquinone (169825-32-5)

Guidance literature:

Multi-step reaction with 2 steps

1: acetonitrile / 1 h / Ambient temperature

2: acetonitrile / Ambient temperature

In acetonitrile;

DOI:10.1016/0040-4020(96)00835-6

Reference yield:

2-vinyl-aziridine (14401-62-8) + 4-methoxy-5-(4-methoxyphenoxy)cyclohexa-3,5-diene-1,2-dione (99814-64-9) → 5-methoxy-7,7-dihydroazepine-1-2-benzoquinone (169825-32-5)

Guidance literature:

In acetonitrile; for 0.5h; Yield given; Ambient temperature;

DOI:10.1016/0040-4039(95)00866-B

upstream raw materials:

2-vinyl-aziridine

4-methoxy-5-(4-methoxyphenoxy)cyclohexa-3,5-diene-1,2-dione