2-Quinoxalinecarboxylic acid, 3-methyl-, methyl ester

Base Information

• Chemical Name: 2-Quinoxalinecarboxylic acid, 3-methyl-, methyl ester
• CAS No.: 61522-54-1
• Molecular Formula: C11H10N2O2
• Molecular Weight: 202.20900
• UNII: 69N2SBU629
• DSSTox Substance ID: DTXSID60446425
• Nikkaji Number: J313.385K
• Wikidata: Q82265059
• Mol file: 61522-54-1.mol

Synonyms:Methyl 3-methylquinoxaline-2-carboxylate;2-Quinoxalinecarboxylic acid, 3-methyl-, methyl ester;61522-54-1;69N2SBU629;Methyl 3-methyl-2-quinoxalinecarboxylate;UNII-69N2SBU629;3-Methylquinoxaline-2-carboxylic acid methyl ester;SCHEMBL6386134;DTXSID60446425;MFCD25459289;3-methyl-quinoxaline-2-carboxylic acid methyl ester

Chemical Property of 2-Quinoxalinecarboxylic acid, 3-methyl-, methyl ester

Chemical Property:

• Melting Point: 82-84 °C
• Boiling Point: 300.1±37.0 °C(Predicted)
• PKA: -2?+-.0.48(Predicted)
• PSA: 52.08000
• Density: 1.231±0.06 g/cm3(Predicted)
• LogP: 1.72480
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 202.074227566
• Heavy Atom Count: 15
• Complexity: 245

Purity/Quality:

98% ^*data from raw suppliers

3-Methylquinoxaline-2-carboxylic acid methyl ester 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=CC=CC=C2N=C1C(=O)OC

Technology Process of 2-Quinoxalinecarboxylic acid, 3-methyl-, methyl ester

There total 15 articles about 2-Quinoxalinecarboxylic acid, 3-methyl-, 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: 95.0%

2-Diazo-3-oxo-butyric acid methyl ester (24762-04-7) + 1,2-diamino-benzene (95-54-5) → methyl 3-methylquinoxaline-2-carboxylate (61522-54-1)

Guidance literature:

With iron(III) trifluoromethanesulfonate; In water; at 70 ℃; for 6h; Green chemistry;

DOI:10.1002/adsc.201600503

Reference yield: 91.0%

acetoacetic acid methyl ester (105-45-3) + 1,2-diamino-benzene (95-54-5) → methyl 3-methylquinoxaline-2-carboxylate (61522-54-1)

Guidance literature:

With 4-toluenesulfonyl azide; Porcine Pancreas Lipase; hemoglobin from bovine blood; In water; at 55 ℃; for 6h; regioselective reaction; Green chemistry; Enzymatic reaction;

DOI:10.1021/acs.orglett.0c01186

Reference yield: 81.0%

methyl 2,3-dioxobutanoate (86396-16-9) + 1,2-diamino-benzene (95-54-5) → methyl 3-methylquinoxaline-2-carboxylate (61522-54-1)

Guidance literature:

With toluene-4-sulfonic acid; for 0.166667h; Reflux; Dean-Stark;

upstream raw materials:

methyl 2,3-dioxobutanoate

1,2-diamino-benzene

2-methoxycarbonyl-3-methylquinoxaline 1,4-dioxide

methyl 2-bromo-2-methyl-2H-azirine-3-carboxylate

Downstream raw materials:

3‐methylquinoxaline‐2‐carboxylic acid