7-(2-oxoazepane-1-carbonyl)-2-(4-(2-oxoazepane-1-carbonyl)phenyl)-4H-benzo[d][1,3]oxazin-4-one

Base Information

• Chemical Name: 7-(2-oxoazepane-1-carbonyl)-2-(4-(2-oxoazepane-1-carbonyl)phenyl)-4H-benzo[d][1,3]oxazin-4-one
• CAS No.: 1428977-09-6
• Molecular Formula: C₄₀H₅₇NO₆
• Molecular Weight: 647.896
• Mol file: 1428977-09-6.mol

Synonyms:7-(2-oxoazepane-1-carbonyl)-2-(4-(2-oxoazepane-1-carbonyl)phenyl)-4H-benzo[d][1,3]oxazin-4-one

Chemical Property of 7-(2-oxoazepane-1-carbonyl)-2-(4-(2-oxoazepane-1-carbonyl)phenyl)-4H-benzo[d][1,3]oxazin-4-one

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 7-(2-oxoazepane-1-carbonyl)-2-(4-(2-oxoazepane-1-carbonyl)phenyl)-4H-benzo[d][1,3]oxazin-4-one

There total 7 articles about 7-(2-oxoazepane-1-carbonyl)-2-(4-(2-oxoazepane-1-carbonyl)phenyl)-4H-benzo[d][1,3]oxazin-4-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: 64.0%

1-dodecyl alcohol (112-53-8) + 7-(2-oxoazepane-1-carbonyl)-2-(4-(2-oxoazepane-1-carbonyl)phenyl)-4H-benzo[d][1,3]oxazin-4-one (1428977-00-7) → caprolactam (105-60-2,9012-16-2) + 7-(2-oxoazepane-1-carbonyl)-2-(4-(2-oxoazepane-1-carbonyl)phenyl)-4H-benzo[d][1,3]oxazin-4-one (1428977-09-6)

Guidance literature:

at 195 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.tet.2013.03.024

Reference yield:

3-aminoterephthalic acid (10312-55-7) → 7-(2-oxoazepane-1-carbonyl)-2-(4-(2-oxoazepane-1-carbonyl)phenyl)-4H-benzo[d][1,3]oxazin-4-one (1428977-09-6)

Guidance literature:

Multi-step reaction with 6 steps

1: triethylamine / N,N-dimethyl acetamide / 1.5 h / 20 °C / Cooling with ice

2: potassium hydroxide; water / methanol / 2 h / 60 °C

3: acetic anhydride / 2 h / Reflux

4: thionyl chloride; N,N-dimethyl-formamide / 80 °C

5: triethylamine / toluene / 3 h / 80 °C / Reflux

6: 2 h / 195 °C / Inert atmosphere

With thionyl chloride; water; acetic anhydride; triethylamine; N,N-dimethyl-formamide; potassium hydroxide; In methanol; N,N-dimethyl acetamide; toluene;

DOI:10.1016/j.tet.2013.03.024

Reference yield:

2-(4-сarboxyphenyl)-4-oxo-4H-benzo[d][1,3]oxazine-7-carboxylic acid (1428976-99-1) → 7-(2-oxoazepane-1-carbonyl)-2-(4-(2-oxoazepane-1-carbonyl)phenyl)-4H-benzo[d][1,3]oxazin-4-one (1428977-09-6)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride; N,N-dimethyl-formamide / 80 °C

2: triethylamine / toluene / 3 h / 80 °C / Reflux

3: 2 h / 195 °C / Inert atmosphere

With thionyl chloride; triethylamine; N,N-dimethyl-formamide; In toluene;

DOI:10.1016/j.tet.2013.03.024

upstream raw materials:

4-Methoxycarbonylbenzoyl chloride

3-aminoterephthalic acid

2-(4-(мethoxycarbonyl)benzamido)terephthalic acid

2-(4-сarboxyphenyl)-4-oxo-4H-benzo[d][1,3]oxazine-7-carboxylic acid

Downstream raw materials:

7-(2-oxoazepane-1-carbonyl)-2-(4-(2-oxoazepane-1-carbonyl)phenyl)-4H-benzo[d][1,3]oxazin-4-one