2(1H)-Quinoxalinone, 1-(3-(dimethylamino)propyl)-3-(phenylmethyl)-6-(trifluoromethyl)-

Base Information

• Chemical Name: 2(1H)-Quinoxalinone, 1-(3-(dimethylamino)propyl)-3-(phenylmethyl)-6-(trifluoromethyl)-
• CAS No.: 117928-86-6
• Molecular Formula: C₂₁H₂₂F₃N₃O
• Molecular Weight: 389.42
• DSSTox Substance ID: DTXSID30151958
• Nikkaji Number: J481.156I
• Wikidata: Q83018506
• Mol file: 117928-86-6.mol

Synonyms:BRN 5361717;117928-86-6;2(1H)-Quinoxalinone, 1-(3-(dimethylamino)propyl)-3-(phenylmethyl)-6-(trifluoromethyl)-;1-(3-(Dimethylamino)propyl)-3-(phenylmethyl)-6-(trifluoromethyl)-2(1H)-quinoxalinone;DTXSID30151958;LS-143091;1-[3-(Dimethylamino)propyl]-3-benzyl-6-(trifluoromethyl)quinoxalin-2(1H)-one

Chemical Property of 2(1H)-Quinoxalinone, 1-(3-(dimethylamino)propyl)-3-(phenylmethyl)-6-(trifluoromethyl)-

Chemical Property:

• Vapor Pressure: 6.94E-10mmHg at 25°C
• Boiling Point: 493.6°C at 760 mmHg
• Flash Point: 252.3°C
• Density: 1.21g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 389.17149682
• Heavy Atom Count: 28
• Complexity: 570

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C(C1=O)CC3=CC=CC=C3

Technology Process of 2(1H)-Quinoxalinone, 1-(3-(dimethylamino)propyl)-3-(phenylmethyl)-6-(trifluoromethyl)-

There total 1 articles about 2(1H)-Quinoxalinone, 1-(3-(dimethylamino)propyl)-3-(phenylmethyl)-6-(trifluoromethyl)- 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: 55.0%

2-oxo-3-(phenyl)propionic acid (156-06-9) + N1-(3-Dimethylamino-propyl)-4-trifluoromethyl-benzene-1,2-diamine (56756-65-1) → 3-Benzyl-1-(3-dimethylamino-propyl)-6-trifluoromethyl-1H-quinoxalin-2-one (117928-86-6)

Guidance literature:

In ethanol; for 8h; Heating;

upstream raw materials:

2-oxo-3-(phenyl)propionic acid

N¹-(3-Dimethylamino-propyl)-4-trifluoromethyl-benzene-1,2-diamine

Refernces

Photoinduced Phosphorylation by <α-(Hydroxyimino)benzyl>phosphonates through Fragmentation to Monomeric Metaphosphates

10.1021/jo00015a040

The research explores the synthesis and photochemical properties of certain phosphonate compounds for phosphorylation reactions. The purpose of the study is to develop mild phosphorylating agents that can operate under conditions compatible with biological systems, potentially at physiological pH. Key chemicals used in the research include methyl hydrogen benzoylphosphonate, thionyl chloride, o-nitrobenzyl alcohol, benzyl alcohol, hydroxylamine, and diazomethane. The researchers synthesized various benzyl esters of [α-(hydroxyimino)benzyl]phosphonic acid and demonstrated that these compounds can undergo photolysis to produce active phosphorylating agents. Upon irradiation, these compounds release the active phosphorylating species, which can then react with alcohols to form phosphodiesters and phosphomonoesters. The study concludes that benzyl α-hydroxyimino phosphonates are efficient precursors for phosphorylating agents and can be used to design novel, mild phosphorylating agents suitable for use in biological contexts.

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