7-Amino-2(1H)-quinoxalinone

Base Information

• Chemical Name: 7-Amino-2(1H)-quinoxalinone
• CAS No.: 98555-00-1
• Molecular Formula: C8H7N3O
• Molecular Weight: 161.16
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90406759
• Mol file: 98555-00-1.mol

Synonyms:7-Amino-2(1H)-quinoxalinone;98555-00-1;7-amino-1H-quinoxalin-2-one;2(1H)-Quinoxalinone, 7-amino-;7-amino-1,2-dihydroquinoxalin-2-one;7-Aminoquinoxalin-2-ol;SCHEMBL12178204;AMY1734;DTXSID90406759;YDA55500;MFCD06654870;7-amino-2,3-dihydroquinoxalin-2-one;AKOS005621346;AC-5041;AS-59766;DIMETHYL1,8-NAPHTHALENEDICARBOXYLATE;CS-0160508;FT-0649424;J-519067

Chemical Property of 7-Amino-2(1H)-quinoxalinone

Chemical Property:

• PSA: 71.77000
• Density: 1.49 g/cm³
• LogP: 1.08650
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 161.058911855
• Heavy Atom Count: 12
• Complexity: 226

Purity/Quality:

98%Min ^*data from raw suppliers

7-Aminoquinoxalin-2(1H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1N)NC(=O)C=N2

Technology Process of 7-Amino-2(1H)-quinoxalinone

There total 6 articles about 7-Amino-2(1H)-quinoxalinone 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: 90.0%

7-nitroquinoxaline-2(1H)-one (89898-96-4) → 7-aminoquinoxalin-2(1H)-one (98555-00-1)

Guidance literature:

With tin(ll) chloride; In ethanol; at 20 ℃; for 24h;

DOI:10.1002/cmdc.201900481

Reference yield:

quinoxalin-2(1)-one (1196-57-2) → 7-aminoquinoxalin-2(1H)-one (98555-00-1)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; HNO₃

2: Raney nickel; methanol / Hydrogenation

With methanol; nitric acid; nickel; acetic acid;

Reference yield:

1,2-diamino-benzene (95-54-5) → 7-aminoquinoxalin-2(1H)-one (98555-00-1)

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol; toluene / 85 °C

2: acetic acid; nitric acid / 20 °C

3: tin(ll) chloride / ethanol / 24 h / 20 °C

With nitric acid; acetic acid; tin(ll) chloride; In ethanol; toluene;

DOI:10.1002/cmdc.201900481

upstream raw materials:

7-amino-3,4-dihydro-1H-quinoxalin-2-one

7-nitroquinoxaline-2(1H)-one

quinoxalin-2⁽¹⁾-one

2-Chloro-7-nitroquinoxaline

Downstream raw materials:

6-amino-3-chloroquinoxaline

Refernces