4-[(7-nitro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]benzonitrile

Base Information

• Chemical Name: 4-[(7-nitro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]benzonitrile
• CAS No.: 852233-49-9
• Molecular Formula: C₁₆H₁₁N₃O₄
• Molecular Weight: 309.281

Synonyms:4-[(7-nitro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]benzonitrile

Chemical Property of 4-[(7-nitro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]benzonitrile

Chemical Property:

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Technology Process of 4-[(7-nitro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]benzonitrile

There total 2 articles about 4-[(7-nitro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]benzonitrile 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: 84.0%

7-nitro-4H-benzo[1,4]oxazin-3-one (81721-86-0) + 4-cyanobenzyl bromide (17201-43-3) → 4-[(7-nitro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]benzonitrile (852233-49-9)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; potassium carbonate; In acetonitrile; at 60 ℃;

DOI:10.1021/jm048984g

Reference yield:

5-Nitro-2-aminophenol (121-88-0) → 4-[(7-nitro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]benzonitrile (852233-49-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / KF / dimethylformamide / 20 - 60 °C

2: 84 percent / benzyltriethylammonium chloride; K₂CO₃ / acetonitrile / 60 °C

With potassium fluoride; N-benzyl-N,N,N-triethylammonium chloride; potassium carbonate; In N,N-dimethyl-formamide; acetonitrile;

DOI:10.1021/jm048984g

Reference yield: 73.0%

4-[(7-nitro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]benzonitrile (852233-49-9) → 4-[(7-amino-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]benzonitrile (852233-47-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/jm048984g

upstream raw materials:

7-nitro-4H-benzo[1,4]oxazin-3-one

4-cyanobenzyl bromide

5-Nitro-2-aminophenol

Downstream raw materials:

4-[(7-amino-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]benzonitrile

methyl 2-benzyl-3-{[4-(4-cyanobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl]amino}-3-oxopropanoate

2-benzyl-N-[4-(4-cyanobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-3-oxo-β-alanine

methyl 3-[(4-{4-[amino(hydroxyimino)methyl]benzyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)amino]-2-benzyl-3-oxopropanoate

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