2-Quinoxalinecarboxylic acid, 3,4-dihydro-6,7-dimethoxy-4-methyl-3-oxo-, [4-(3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]methyl ester

Base Information

Chemical Name:2-Quinoxalinecarboxylic acid, 3,4-dihydro-6,7-dimethoxy-4-methyl-3-oxo-, [4-(3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]methyl ester
CAS No.:132788-53-5
Molecular Formula:C21H19N5O7
Molecular Weight:453.411
Hs Code.:
DSSTox Substance ID:DTXSID501102840

Synonyms:DTXSID501102840;132788-53-5;2-Quinoxalinecarboxylic acid, 3,4-dihydro-6,7-dimethoxy-4-methyl-3-oxo-, [4-(3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]methyl ester

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Chemical Property of 2-Quinoxalinecarboxylic acid, 3,4-dihydro-6,7-dimethoxy-4-methyl-3-oxo-, [4-(3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]methyl ester

Chemical Property:

XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:453.12844796
Heavy Atom Count:33
Complexity:825

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1C2=CC(=C(C=C2N=C(C1=O)C(=O)OCC3=CC=C(C=C3)N4C(=O)NNC4=O)OC)OC

Technology Process of 2-Quinoxalinecarboxylic acid, 3,4-dihydro-6,7-dimethoxy-4-methyl-3-oxo-, [4-(3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]methyl ester

There total 4 articles about 2-Quinoxalinecarboxylic acid, 3,4-dihydro-6,7-dimethoxy-4-methyl-3-oxo-, [4-(3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]methyl ester 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: 65.0%

: 132788-55-7
4-(4-Hydroxymethyl-phenyl)-[1,2,4]triazolidine-3,5-dione

: 104077-15-8
6,7-Dimethoxy-1-methyl-2-oxo-1H-quinoxaline-3-carbonyl chloride

: 132788-53-5
6,7-Dimethoxy-4-methyl-3-oxo-3,4-dihydro-quinoxaline-2-carboxylic acid 4-(3,5-dioxo-[1,2,4]triazolidin-4-yl)-benzyl ester

Guidance literature:: In N,N-dimethyl-formamide; benzene; Heating;
DOI:10.1039/c39900001416

Reference yield:

: 128346-45-2
4-(3,5-Dioxo-[1,2,4]triazolidin-4-yl)-benzoic acid ethyl ester

: 132788-53-5
6,7-Dimethoxy-4-methyl-3-oxo-3,4-dihydro-quinoxaline-2-carboxylic acid 4-(3,5-dioxo-[1,2,4]triazolidin-4-yl)-benzyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: diisobutylaluminium hydride / tetrahydrofuran / -20 °C

2: 65 percent / benzene; dimethylformamide / Heating

With diisobutylaluminium hydride; In tetrahydrofuran; N,N-dimethyl-formamide; benzene;
DOI:10.1039/c39900001416

Reference yield:

: 129205-41-0
C₁₃H₁₇N₃O₅

: 132788-53-5
6,7-Dimethoxy-4-methyl-3-oxo-3,4-dihydro-quinoxaline-2-carboxylic acid 4-(3,5-dioxo-[1,2,4]triazolidin-4-yl)-benzyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: K₂CO₃ / ethanol / Heating

2: diisobutylaluminium hydride / tetrahydrofuran / -20 °C

3: 65 percent / benzene; dimethylformamide / Heating

With diisobutylaluminium hydride; potassium carbonate; In tetrahydrofuran; ethanol; N,N-dimethyl-formamide; benzene;
DOI:10.1039/c39900001416