4-(Acetylamino)-N-(hexahydro-2-oxo-1H-azepin-3-yl)benzamide

Base Information

• Chemical Name: 4-(Acetylamino)-N-(hexahydro-2-oxo-1H-azepin-3-yl)benzamide
• CAS No.: 159970-39-5
• Molecular Formula: C₁₅H₁₉N₃O₃
• Molecular Weight: 289.334
• DSSTox Substance ID: DTXSID101190360

Synonyms:DTXSID101190360;4-(Acetylamino)-N-(hexahydro-2-oxo-1H-azepin-3-yl)benzamide;159970-39-5

Chemical Property of 4-(Acetylamino)-N-(hexahydro-2-oxo-1H-azepin-3-yl)benzamide

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 289.14264148
• Heavy Atom Count: 21
• Complexity: 403

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)NC2CCCCNC2=O

Technology Process of 4-(Acetylamino)-N-(hexahydro-2-oxo-1H-azepin-3-yl)benzamide

There total 2 articles about 4-(Acetylamino)-N-(hexahydro-2-oxo-1H-azepin-3-yl)benzamide 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:

p-(acetylamino)benzoic acid (556-08-1) → 4-Acetylamino-N-(2-oxo-azepan-3-yl)-benzamide (159970-39-5)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 0.33 h / Ambient temperature

2: tetrahydrofuran / 2 h / Ambient temperature

In tetrahydrofuran;

DOI:10.1002/jhet.5570310432

Reference yield:

1-(4-acetylamino-benzoyl)-1H-imidazole (92577-27-0) + 3-aminoazepan-2-one (17929-90-7) → 4-Acetylamino-N-(2-oxo-azepan-3-yl)-benzamide (159970-39-5)

Guidance literature:

In tetrahydrofuran; for 2h; Yield given; Ambient temperature;

DOI:10.1002/jhet.5570310432

Reference yield: 13.0%

4-Acetylamino-N-(2-oxo-azepan-3-yl)-benzamide (159970-39-5) → N-[4-(5,6,7,8-Tetrahydro-4H-thiazolo[5,4-b]azepin-2-yl)-phenyl]-thioacetamide

Guidance literature:

With pyridine; tetraphosphorus decasulfide; at 100 ℃; for 5h;

DOI:10.1002/jhet.5570310432

upstream raw materials:

1-(4-acetylamino-benzoyl)-1H-imidazole

3-aminoazepan-2-one

p-(acetylamino)benzoic acid

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