methyl 3-[(3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino]benzoate

Base Information

• Chemical Name: methyl 3-[(3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino]benzoate
• CAS No.: 1394134-77-0
• Molecular Formula: C₂₈H₂₅N₃O₄
• Molecular Weight: 467.524
• Mol file: 1394134-77-0.mol

Synonyms:methyl 3-[(3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino]benzoate

Chemical Property of methyl 3-[(3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino]benzoate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of methyl 3-[(3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino]benzoate

There total 4 articles about methyl 3-[(3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino]benzoate 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: 50.0%

hexamethylene imine (111-49-9) + methyl 3-[(3-bromo-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino]benzoate (1396601-91-4) → methyl 3-[(3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino]benzoate (1394134-77-0)

Guidance literature:

In acetonitrile; at -15 - 80 ℃; for 4h;

Reference yield:

1-amino-2, 4-dibromoanthraquinone (81-49-2) → methyl 3-[(3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino]benzoate (1394134-77-0)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium nitrite; sulfuric acid / water / 17 h / 30 - 55 °C

1.2: 16 h

1.3: 12 h / 70 °C

2.1: aluminum (III) chloride / nitrobenzene / 0.08 h

2.2: 3 h / 20 °C

3.1: acetonitrile / 4 h / -15 - 80 °C

With aluminum (III) chloride; sulfuric acid; sodium nitrite; In water; nitrobenzene; acetonitrile;

Reference yield:

3,5-dibromo-6-oxo-6H-anthra<1,9-cd>isoxazole (82840-40-2) → methyl 3-[(3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino]benzoate (1394134-77-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: aluminum (III) chloride / nitrobenzene / 0.08 h

1.2: 3 h / 20 °C

2.1: acetonitrile / 4 h / -15 - 80 °C

With aluminum (III) chloride; In nitrobenzene; acetonitrile;

upstream raw materials:

hexamethylene imine

methyl 3-[(3-bromo-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino]benzoate

1-amino-2, 4-dibromoanthraquinone

3,5-dibromo-6-oxo-6H-anthra<1,9-cd>isoxazole

Downstream raw materials:

3-((3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)benzoic acid