2-Quinoxalineacrylic acid

Base Information

• Chemical Name: 2-Quinoxalineacrylic acid
• CAS No.: 1593-24-4
• Molecular Formula: C₁₁H₈N₂O₂
• Molecular Weight: 200.197
• Hs Code.: 2933990090
• NSC Number: 158311
• ChEMBL ID: CHEMBL1443850
• Mol file: 1593-24-4.mol

Synonyms:1593-24-4;3-Quinoxalin-2-yl-acrylic acid;2-Quinoxalineacrylic acid;3-(Quinoxalin-2-yl)acrylic acid;3-(quinoxalin-2-yl)prop-2-enoic acid;(E)-3-quinoxalin-2-ylprop-2-enoic acid;754190-57-3;(2E)-3-(QUINOXALIN-2-YL)PROP-2-ENOIC ACID;MLS000774627;SCHEMBL3530212;SCHEMBL3530215;CHEMBL1443850;HMS2731G17;3-(Quinoxalin-2-yl)-acrylic acid;MFCD03002884;NSC158311;3-(quinoxalin-2-yl)prop-2-enoicacid;AKOS000117136;NSC-158311;SMR000372387;CS-0345103;EN300-06596;AB00587961-02;EN300-1264695;A906552;J-510978;Z56943517

Chemical Property of 2-Quinoxalineacrylic acid

Chemical Property:

• Vapor Pressure: 1.14E-06mmHg at 25°C
• Melting Point: 219-220 °C (decomp)
• Boiling Point: 386.7°Cat760mmHg
• PKA: 3.04±0.10(Predicted)
• Flash Point: 187.7°C
• PSA: 63.08000
• Density: g/cm³
• LogP: 1.72760
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 200.058577502
• Heavy Atom Count: 15
• Complexity: 265

Purity/Quality:

97% ^*data from raw suppliers

3-(quinoxalin-2-yl)prop-2-enoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=CC(=N2)C=CC(=O)O
• Isomeric SMILES: C1=CC=C2C(=C1)N=CC(=N2)/C=C/C(=O)O

Technology Process of 2-Quinoxalineacrylic acid

There total 5 articles about 2-Quinoxalineacrylic 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:

→ 3-quinoxalin-2-yl-acrylic acid (1593-24-4,754190-57-3)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01164a061

Reference yield:

2-(2-hydroxy-3,3,3-trichlorpropyl)-chinoxalin (1500-98-7) → 3-quinoxalin-2-yl-acrylic acid (1593-24-4,754190-57-3)

Guidance literature:

With potassium hydroxide;

Reference yield:

2-methylquinoxaline (7251-61-8) → 3-quinoxalin-2-yl-acrylic acid (1593-24-4,754190-57-3)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine

2: methanol.KOH

With pyridine; potassium hydroxide;

upstream raw materials:

Quinoxaline-2-carboxaldehyde

malonic acid

2-(2-hydroxy-3,3,3-trichlorpropyl)-chinoxalin

2-methylquinoxaline

Downstream raw materials:

β-(2-Chinoxalinyl)-propionsaeure