Benzamide, N-(5,6,7,8-tetrahydro-2,5-dioxo-2H-1-benzopyran-3-yl)-

Base Information

• Chemical Name: Benzamide, N-(5,6,7,8-tetrahydro-2,5-dioxo-2H-1-benzopyran-3-yl)-
• CAS No.: 92856-34-3
• Molecular Formula: C16H13NO4
• Molecular Weight: 283.284
• DSSTox Substance ID: DTXSID50396889
• Nikkaji Number: J339.897H
• Wikidata: Q82197835
• ChEMBL ID: CHEMBL1489813
• Mol file: 92856-34-3.mol

Synonyms:92856-34-3;N-(2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)benzamide;Benzamide, N-(5,6,7,8-tetrahydro-2,5-dioxo-2H-1-benzopyran-3-yl)-;N-(2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)benzenecarboxamide;MLS000543228;N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide;Bionet2_000006;Oprea1_434366;SCHEMBL5947586;CHEMBL1489813;DTXSID50396889;HMS1364A06;HMS2406F15;MFCD00139778;AKOS005087420;SMR000169197;3E-924;3-benzoylamino-5-oxo-5,6,7,8-tetrahydrocoumarin;N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)-benzamide;3-(Benzoylamino)-7,8-dihydro-2H-1-benzopyran-2,5(6H)-dione

Chemical Property of Benzamide, N-(5,6,7,8-tetrahydro-2,5-dioxo-2H-1-benzopyran-3-yl)-

Chemical Property:

• PSA: 79.87000
• LogP: 2.79510
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 283.08445790
• Heavy Atom Count: 21
• Complexity: 553

Purity/Quality:

N-(2,5-DIOXO-5,6,7,8-TETRAHYDRO-2H-CHROMEN-3-YL)BENZENECARBOXAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2=C(C=C(C(=O)O2)NC(=O)C3=CC=CC=C3)C(=O)C1

Technology Process of Benzamide, N-(5,6,7,8-tetrahydro-2,5-dioxo-2H-1-benzopyran-3-yl)-

There total 10 articles about Benzamide, N-(5,6,7,8-tetrahydro-2,5-dioxo-2H-1-benzopyran-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: 82.0%

1,3-cylohexanedione (504-02-9) + methyl 2-N-benzoylamino-3-N,N-dimethylamino-2-propenoate (56952-04-6) → 3-benzoylamino-5-oxo-5,6,7,8-tetrahydrocoumarin (92856-34-3)

Guidance literature:

With acetic acid; for 6h; Heating;

Reference yield: 69.0%

Hippuric Acid (495-69-2,140480-84-8,21251-67-2,91787-63-2,66407-11-2) + 2-(dimethylaminomethylene)cyclohexane-1,3-dione (85302-07-4) → 3-benzoylamino-5-oxo-5,6,7,8-tetrahydrocoumarin (92856-34-3)

Guidance literature:

With acetic anhydride; for 2h; Heating;

Reference yield: 54.0%

4-ethoxymethylene-2-phenyl-2-oxazolin-5-one (15646-46-5) + 1,3-cylohexanedione (504-02-9) → 3-benzoylamino-5-oxo-5,6,7,8-tetrahydrocoumarin (92856-34-3)

Guidance literature:

With triethylamine; In ethanol; for 24h; Ambient temperature;

upstream raw materials:

Hippuric Acid

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

4-ethoxymethylene-2-phenyl-2-oxazolin-5-one

1,3-cylohexanedione

Downstream raw materials:

3-(benzoylamino)-5,6,7,8-tetrahydro-2,5-dioxo-1(2H)-quinolineacetic acid

N-(5-hydroxy-2-oxo-2H-chromen-3-yl)benzamide

N-(5,6,7,8-tetrahydro-8-oxonaphthalen-2-yl)benzamide