7-bromo-1H-quinoxalin-2-one

Base Information

• Chemical Name: 7-bromo-1H-quinoxalin-2-one
• CAS No.: 82031-32-1
• Molecular Formula: C8H5BrN2O
• Molecular Weight: 225.044
• DSSTox Substance ID: DTXSID20406762
• Mol file: 82031-32-1.mol

Synonyms:7-bromoquinoxalin-2(1H)-one;82031-32-1;7-bromo-1H-quinoxalin-2-one;7-bromoquinoxalin-2-ol;7-BROMO-1,2-DIHYDROQUINOXALIN-2-ONE;MFCD01465145;7-Bromo-2(1H)-quinoxalinone;7-Bromo-1H-quinoxalin-2-one;7-Bromoquinoxalin-2(1H)-one;2(1H)-QUINOXALINONE, 7-BROMO-;7-bromoquinoxalin-2-one;SCHEMBL622295;7-bromanyl-1H-quinoxalin-2-one;DTXSID20406762;PXVQWJPOMIRXQL-UHFFFAOYSA-N;AM9944;AKOS005620916;AB09151;AC-9418;CS-W008865;FS-2856;SY112246;FT-0647279;EN300-319535;A840236;J-518331;J-519179

Chemical Property of 7-bromo-1H-quinoxalin-2-one

Chemical Property:

• Refractive Index: 1.72
• PKA: 8.23±0.70(Predicted)
• Density: 1.82 g/cm³
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 223.95853
• Heavy Atom Count: 12
• Complexity: 229

Purity/Quality:

98%min ^*data from raw suppliers

7-Bromoquinoxalin-2(1H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)NC(=O)C=N2
• Uses: 7-Bromoquinoxalin-2(1H)-one was used to study preparation and serotoninmimetic activity of piperazinylquinoxalines.

Technology Process of 7-bromo-1H-quinoxalin-2-one

There total 7 articles about 7-bromo-1H-quinoxalin-2-one 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-hydroxyquinoxaline (1196-57-2,144499-26-3) → 2-hydroxy-7-bromoquinoxaline (82031-32-1)

Guidance literature:

With bromine; In acetic acid; at 20 ℃; for 6h;

Reference yield: 88.0%

quinoxalin-2(1)-one (1196-57-2) → 7-bromo-1H-quinoxalin-2-one (82031-32-1)

Guidance literature:

With bromine; acetic acid; at 20 ℃; for 12h;

Reference yield:

2-hydroxyquinoxaline (1196-57-2,144499-26-3) → 7-bromo-1H-quinoxalin-2-one (82031-32-1)

Guidance literature:

With bromine; acetic acid; at 20 ℃;

upstream raw materials:

quinoxalin-2⁽¹⁾-one

2-hydroxyquinoxaline

1,2-diamino-benzene

glyoxylic acid ethyl ester

Downstream raw materials:

4-(7-bromoquinoxalin-2-yl)morpholine

4-(3-chloro-quinoxalin-6-yl)-phenol

N-[3-(3-chloro-quinoxalin-6-yl)-phenyl]-acetamide

4-(3-morpholin-4-yl-quinoxalin-6-yl)-phenylamine

Refernces

• 1、 Xu, Jun,Yang, Huiyong,He, Lei,Huang, Lin,Shen, Jiabin,Li, Wanmei,Zhang, Pengfei. "Synthesis of (E)-Quinoxalinone Oximes through a Multicomponent Reaction under Mild Conditions". supporting information. p. 195 - 201. Retrieved 2021/01/13.
• 2、 -. "SUBSTITUTED IMIDAZOQUINOXALINE COMPOUNDS AND USES THEREOF". Page/Page column 32. . Retrieved 2021/03/19.