Acetamide, N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-

Base Information

• Chemical Name: Acetamide, N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-
• CAS No.: 60498-31-9
• Molecular Formula: C₁₆H₁₂N₂O₃
• Molecular Weight: 280.283
• DSSTox Substance ID: DTXSID60360278
• Wikidata: Q82141939
• ChEMBL ID: CHEMBL1509114

Synonyms:SR-01000366164;60498-31-9;Acetamide, N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-;TimTec1_007817;MLS001206341;CHEMBL1509114;DTXSID60360278;HMS1556D07;HMS2852M13;N-[4-(4-Oxo-4H-benzo[d][1,3]oxazin-2-yl)-phenyl]-acetamide;STL573324;AKOS000638161;IDI1_033471;SMR000513507;SR-01000366164-1;SR-01000366164-3;N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]acetamide

Chemical Property of Acetamide, N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 280.08479225
• Heavy Atom Count: 21
• Complexity: 452

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2

Technology Process of Acetamide, N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-

There total 2 articles about Acetamide, N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]- 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:

2-(4-aminobenzamido)benzoic acid (60498-39-7) → 2-(4-acetylamino-phenyl)-benzo[d][1,3]oxazin-4-one (60498-31-9)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / benzene

2: Ac₂O

With thionyl chloride; acetic anhydride; In benzene;

DOI:10.1021/jo00421a003

Reference yield:

2-(4-aminophenyl)-4H-benzo[d][1,3]oxazin-4-one (16063-04-0) → 2-(4-acetylamino-phenyl)-benzo[d][1,3]oxazin-4-one (60498-31-9)

Guidance literature:

With acetic anhydride;

DOI:10.1021/jo00421a003

Reference yield:

aniline (62-53-3) + 2-(4-acetylamino-phenyl)-benzo[d][1,3]oxazin-4-one (60498-31-9) → 2-(4-acetamidobenzamido)-N-phenylbenzamide

Guidance literature:

for 4h; Heating;

DOI:10.1007/s10593-006-0201-4

upstream raw materials:

2-(4-aminophenyl)-4H-benzo[d][1,3]oxazin-4-one

2-(4-aminobenzamido)benzoic acid

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