3-Amino-2-quinoxalinecarbonitrile

Base Information

• Chemical Name: 3-Amino-2-quinoxalinecarbonitrile
• CAS No.: 23190-84-3
• Molecular Formula: C9H6N4O2
• Molecular Weight: 202.172
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90406097
• Nikkaji Number: J277.201I
• Wikidata: Q82210979
• Mol file: 23190-84-3.mol

Synonyms:3-amino-2-quinoxalinecarbonitrile;TX 402;TX-402;TX402 cpd

Chemical Property of 3-Amino-2-quinoxalinecarbonitrile

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.737
• Boiling Point: 571.516 °C at 760 mmHg
• Flash Point: 299.443 °C
• PSA: 100.73000
• Density: 1.553 g/cm³
• LogP: 1.73188
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 170.059246208
• Heavy Atom Count: 13
• Complexity: 231

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-2-cyanoquinoxaline-1,4-diium-1,4-bis(olate) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(C(=N2)N)C#N

Technology Process of 3-Amino-2-quinoxalinecarbonitrile

There total 2 articles about 3-Amino-2-quinoxalinecarbonitrile 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%

benzofurazan oxide (480-96-6,68100-26-5) + 2-(4-methoxyphenylmethylene)malononitrile (2826-26-8) → 4-methoxy-benzaldehyde (123-11-5) + 2-cyano-3-amino-quinoxaline-di-N-oxide (23190-84-3)

Guidance literature:

With triethylamine; In ethanol; for 4h; Ambient temperature;

Reference yield: 80.0%

benzofurazan oxide (480-96-6,68100-26-5) + Benzylidenemalononitrile (2700-22-3) → benzaldehyde (100-52-7) + 2-cyano-3-amino-quinoxaline-di-N-oxide (23190-84-3)

Guidance literature:

With triethylamine; In ethanol; for 4h; Ambient temperature;

Reference yield: 96.6%

2-cyano-3-amino-quinoxaline-di-N-oxide (23190-84-3) → 2-Amino-3-hydroxyquinoxaline 1-N-oxide (4949-18-2)

Guidance literature:

With sulfuric acid; 1.) 75-80 deg C, 6 h, 2.) 85-95 deg C, 5 h;

DOI:10.1007/BF00766905

upstream raw materials:

benzofurazan oxide

2-(4-methoxyphenylmethylene)malononitrile

Benzylidenemalononitrile

Downstream raw materials:

2-Amino-3-hydroxyquinoxaline 1-N-oxide

3-amino-2-quinoxalinecarbonitrile

3-amino-2-quinoxalinecarbonitrile 4-oxide

2-Cyan-chinoxalin-1,4-dioxid