Quinoxaline-5-carboxylic acid

Base Information

• Chemical Name: Quinoxaline-5-carboxylic acid
• CAS No.: 6924-66-9
• Molecular Formula: C9H6N2O2
• Molecular Weight: 174.159
• Hs Code.: 29339980
• European Community (EC) Number: 813-377-9
• DSSTox Substance ID: DTXSID00354595
• Wikidata: Q82132830
• Mol file: 6924-66-9.mol

Synonyms:quinoxaline-5-carboxylic acid;6924-66-9;5-quinoxalinecarboxylic acid;MFCD02854494;QUINOXALINE-5-CARBOXYLICACID;SCHEMBL950048;DTXSID00354595;AMY14070;BBL100684;STL554478;AKOS000270304;AB12722;CS-W022952;SS-4030;SY039594;BB 0253150;EU-0033336;FT-0647246;VU0085233-3;EN300-134506;A836407;J-524210;Z1201621887;InChI=1/C9H6N2O2/c12-9(13)6-2-1-3-7-8(6)11-5-4-10-7/h1-5H,(H,12,13

Chemical Property of Quinoxaline-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 6.07E-07mmHg at 25°C
• Refractive Index: 1.697
• Boiling Point: 394.8 °C at 760 mmHg
• PKA: -1.16±0.10(Predicted)
• Flash Point: 192.6 °C
• PSA: 63.08000
• Density: 1.421 g/cm³
• LogP: 1.32800
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 174.042927438
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

99.5% ^*data from raw suppliers

Quinoxaline-5-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C(=C1)N=CC=N2)C(=O)O
• Uses: quinoxaline-5-carboxylic acid (cas# 6924-66-9) is a useful research chemical.

Technology Process of Quinoxaline-5-carboxylic acid

There total 2 articles about Quinoxaline-5-carboxylic acid 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:

Glyoxal (131543-46-9,107-22-2) + 2,3-diaminobenzoic acid (603-81-6) → 1,4-benzpyrazine-8-carboxylic acid (6924-66-9)

Guidance literature:

DOI:10.1002/mrc.1270140417

Reference yield:

→ 1,4-benzpyrazine-8-carboxylic acid (6924-66-9)

Guidance literature:

Na-2.3-diamino-benzoat (aus 2-Amino-3-nitro-benzoesaeure durch katal. Red. an Pd), Glyoxalhydrogensulfit in wss.K2CO3-Lsg.;

DOI:10.1021/jo01022a531

Reference yield: 93.0%

1,4-benzpyrazine-8-carboxylic acid (6924-66-9) + 3-chloro-aniline (108-42-9) → N-(3-chlorophenyl)quinoxaline-5-carboxamide (928839-68-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bmc.2010.03.024

upstream raw materials:

Glyoxal

2,3-diaminobenzoic acid

Downstream raw materials:

N-(3-chlorophenyl)quinoxaline-5-carboxamide

quinoxaline-5-carboxylic acid chloride