Benzamide, N-(5-benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)-

Base Information

• Chemical Name: Benzamide, N-(5-benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)-
• CAS No.: 127143-19-5
• Molecular Formula: C20H15NO4
• Molecular Weight: 333.343
• DSSTox Substance ID: DTXSID70372266
• Nikkaji Number: J282.197D
• Wikidata: Q82159866
• ChEMBL ID: CHEMBL1403294
• Mol file: 127143-19-5.mol

Synonyms:127143-19-5;Benzamide, N-(5-benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)-;N-(5-benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)benzamide;N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)benzamide;N-(5-benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)benzenecarboxamide;MLS000543233;Bionet2_001519;Oprea1_782563;CHEMBL1403294;DTXSID70372266;HMS1368F21;HMS2405K16;CCG-53959;AKOS005087458;SMR000169202;3E-941;3-Benzoylamino-5-benzoyl-6-methyl-2H-pyran-2-one;SR-01000643082-1

Chemical Property of Benzamide, N-(5-benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)-

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 333.10010796
• Heavy Atom Count: 25
• Complexity: 620

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C(=O)O1)NC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3

Technology Process of Benzamide, N-(5-benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)-

There total 3 articles about Benzamide, N-(5-benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)- 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: 79.0%

methyl (Z)-2-benzoylamino-3-dimethylaminopropenoate (125008-68-6) + 1-phenylbutan-1,3-dione (93-91-4) → N-(5-benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)benzamide (127143-19-5)

Guidance literature:

In acetic acid; for 2h; Heating;

DOI:10.1055/s-1990-26792

Reference yield: 54.0%

2-phenylazlactone (1199-01-5,53766-22-6) + 2-(dimethylaminomethylene)-1-phenylbutane-1,3-dione (76782-18-8) → N-(5-benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)benzamide (127143-19-5)

Guidance literature:

In acetic anhydride; for 0.666667h; Heating;

DOI:10.1055/s-1990-26792

Reference yield:

1-phenylbutan-1,3-dione (93-91-4) → N-(5-benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)benzamide (127143-19-5)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / 2 h / Heating

2: 54 percent / acetic anhydride / 0.67 h / Heating

In acetic anhydride; toluene;

DOI:10.1055/s-1990-26792

upstream raw materials:

2-phenylazlactone

2-(dimethylaminomethylene)-1-phenylbutane-1,3-dione

methyl (Z)-2-benzoylamino-3-dimethylaminopropenoate

1-phenylbutan-1,3-dione