7-Bromo-1-methyl-1H-quinoxalin-2-one

Base Information

• Chemical Name: 7-Bromo-1-methyl-1H-quinoxalin-2-one
• CAS No.: 82019-32-7
• Molecular Formula: C9H7 Br N2 O
• Molecular Weight: 239.071
• DSSTox Substance ID: DTXSID50510861
• Wikidata: Q82369392
• Mol file: 82019-32-7.mol

Synonyms:7-Bromo-1-methyl-1H-quinoxalin-2-one;82019-32-7;7-bromo-1-methylquinoxalin-2-one;7-BROMO-1-METHYLQUINOXALIN-2(1H)-ONE;7-bromo-1-methyl-1,2-dihydroquinoxalin-2-one;SCHEMBL3235078;DTXSID50510861;NNVQENRTPCMCNA-UHFFFAOYSA-N;MFCD10000855;AKOS015835938;AB56064;DS-0515;FS-2858;7-Bromo-1-methyl-2(1H)-quinoxalinone;CS-0019322;A864468

Chemical Property of 7-Bromo-1-methyl-1H-quinoxalin-2-one

Chemical Property:

• Vapor Pressure: 1.4E-05mmHg at 25°C
• Boiling Point: 367.1oC at 760 mmHg
• PKA: -1.13±0.70(Predicted)
• Flash Point: 175.8oC
• PSA: 34.89000
• Density: 1.65g/cm3
• LogP: 1.69600
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 237.97418
• Heavy Atom Count: 13
• Complexity: 254

Purity/Quality:

97% ^*data from raw suppliers

7-Bromo-1-methyl-1h-quinoxalin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C=CC(=C2)Br)N=CC1=O

Technology Process of 7-Bromo-1-methyl-1H-quinoxalin-2-one

There total 6 articles about 7-Bromo-1-methyl-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: 26.3%

7-bromo-1H-quinoxalin-2-one (82031-32-1) + methyl iodide (74-88-4) → 1-methyl-7-bromoquinoxaline-2(1H)-one (82019-32-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

Reference yield:

7-bromo-1H-quinoxalin-2-one (82031-32-1) → 1-methyl-7-bromoquinoxaline-2(1H)-one (82019-32-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1002/ejoc.202100269

Reference yield:

7-bromo-1H-quinoxalin-2-one (82031-32-1) → 1-methyl-7-bromoquinoxaline-2(1H)-one (82019-32-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/acs.orglett.0c03918

upstream raw materials:

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

methyl iodide

quinoxalin-2⁽¹⁾-one

4-Bromo-benzene-1,2-diamine

Downstream raw materials:

7-Bromo-1-methyl-3-(2-oxo-propyl)-1H-quinoxalin-2-one