Methyl 4-{[(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetyl]amino}benzoate

Base Information

• Chemical Name: Methyl 4-{[(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetyl]amino}benzoate
• CAS No.: 5809-58-5
• Molecular Formula: C20H19 N O3
• Molecular Weight: 321.376
• DSSTox Substance ID: DTXSID30386728

Synonyms:471263-88-4;methyl 4-{[(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetyl]amino}benzoate;5809-58-5;F0332-0059;methyl 4-(2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido)benzoate;methyl 4-[2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]benzoate;ZINC00046592;CBMicro_030725;Oprea1_116122;DTXSID30386728;STK142633;ZINC00046591;AKOS000647348;AKOS016319342;BIM-0030736.P001;SR-01000467317;SR-01000467317-1

Chemical Property of Methyl 4-{[(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetyl]amino}benzoate

Chemical Property:

• Vapor Pressure: 3.3E-17mmHg at 25°C
• Boiling Point: 658.4°Cat760mmHg
• Flash Point: 352°C
• Density: 1.298g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 339.12190603
• Heavy Atom Count: 25
• Complexity: 517

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3N2

Technology Process of Methyl 4-{[(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetyl]amino}benzoate

There total 2 articles about Methyl 4-{[(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetyl]amino}benzoate 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%

morpholine (110-91-8,99108-56-2) + phenylglyoxal hydrate (1074-12-0) + phenylacetylene (536-74-3) → 2-(morpholine-4-yl)-1,4-diphenylbutene-1,4-dione (5809-58-5)

Guidance literature:

With gold bromide; In methanol; water; at 50 ℃; for 8h;

Reference yield:

morpholine (110-91-8,99108-56-2) + 1,4-diphenyl-but-2-yne-1,4-dione (1087-09-8) → 2-(morpholine-4-yl)-1,4-diphenylbutene-1,4-dione (5809-58-5)

Guidance literature:

In dichloromethane;

DOI:10.1055/s-2006-950234

Reference yield:

2-(morpholine-4-yl)-1,4-diphenylbutene-1,4-dione (5809-58-5) + benzenesulphonyl isocyanate (2845-62-7) → 3-benzoyl-5-hydroxy-4-morpholino-5-phenyl-1-(phenylsulfonyl)-1,5-dihydro-2H-pyrrol-2-one

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1055/s-2006-950234

upstream raw materials:

morpholine

1,4-diphenyl-but-2-yne-1,4-dione

phenylglyoxal hydrate

phenylacetylene

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