2(1H)-Quinoxalinone,7-fluoro-3-methyl-(9CI)

Base Information

• Chemical Name: 2(1H)-Quinoxalinone,7-fluoro-3-methyl-(9CI)
• CAS No.: 311346-77-7
• Molecular Formula: C₉H₇FN₂O
• Molecular Weight: 178.166
• Mol file: 311346-77-7.mol

Synonyms:2(1H)-Quinoxalinone,7-fluoro-3-methyl-(9CI);7-FFLUORO-3-METHYLQUINOXALIN-2(1H)-ONE

Chemical Property of 2(1H)-Quinoxalinone,7-fluoro-3-methyl-(9CI)

Chemical Property:

• PKA: 8.51±0.20(Predicted)
• PSA: 45.75000
• Density: 1.37±0.1 g/cm3(Predicted)
• LogP: 1.37060

Purity/Quality:

7-fluoro-3-methyl-2(1H)-Quinoxalinone 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2(1H)-Quinoxalinone,7-fluoro-3-methyl-(9CI)

There total 1 articles about 2(1H)-Quinoxalinone,7-fluoro-3-methyl-(9CI) 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:

2-oxo-propionic acid ethyl ester (617-35-6) + 4-fluoro-1,2-phenylenediamine (367-31-7) → 7-fluoro-3-methyl-1H-quinoxalin-2-one (311346-77-7) + 6-fluoro-3-methyl-1H-quinoxalin-2-one (98416-68-3)

Guidance literature:

In methanol; for 0.166667h; Overall yield = 7.3 g; Reflux;

Reference yield: 97.0%

7-fluoro-3-methyl-1H-quinoxalin-2-one (311346-77-7) → 7-fluoro-3-methyl-3,4-dihydroquinoxalin-2(1H)-one (146741-05-1)

Guidance literature:

With [2,2]bipyridinyl; formic acid; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; sodium formate; In water; at 80 ℃; for 3h; pH=4.4;

DOI:10.1002/adsc.201500491

Reference yield:

7-fluoro-3-methyl-1H-quinoxalin-2-one (311346-77-7) → (E)-5-(2-(6-hydroxyquinoxalin-2-yl)vinyl)benzene-1,3-diol

Guidance literature:

Multi-step reaction with 5 steps

1.1: trichlorophosphate / N,N-dimethyl-aniline / 1 h / 110 °C / Inert atmosphere

2.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine / N,N-dimethyl-formamide / 20 °C / Inert atmosphere

2.2: 2 h / Inert atmosphere

3.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.5 h / 20 °C / Inert atmosphere

3.2: 2 h / 100 °C / Inert atmosphere

4.1: iron(II) acetate; trifluoroacetic acid / toluene / 24 h / Inert atmosphere; Reflux

5.1: boron tribromide / dichloromethane / 2 h / Inert atmosphere

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; boron tribromide; iron(II) acetate; sodium hydride; triethylamine; trifluoroacetic acid; trichlorophosphate; In dichloromethane; N,N-dimethyl-aniline; N,N-dimethyl-formamide; toluene; mineral oil;

DOI:10.3390/molecules26030646

upstream raw materials:

2-oxo-propionic acid ethyl ester

4-fluoro-1,2-phenylenediamine

Downstream raw materials:

7-fluoro-3-methyl-3,4-dihydroquinoxalin-2(1H)-one