2-Allyl-3-methyl-1,2-dihydroquinoxaline

Base Information

• Chemical Name: 2-Allyl-3-methyl-1,2-dihydroquinoxaline
• CAS No.: 113477-68-2
• Molecular Formula: C₁₂H₁₄N₂
• Molecular Weight: 186.257
• DSSTox Substance ID: DTXSID60550773
• Mol file: 113477-68-2.mol

Synonyms:113477-68-2;2-Allyl-3-methyl-1,2-dihydroquinoxaline;3-methyl-2-prop-2-enyl-1,2-dihydroquinoxaline;3-Methyl-2-(prop-2-en-1-yl)-1,2-dihydroquinoxaline;Quinoxaline, 1,2-dihydro-3-methyl-2-(2-propenyl)- (9CI);DTXSID60550773;Quinoxaline,1,2-dihydro-3-methyl-2-(2-propenyl)-(9ci)

Chemical Property of 2-Allyl-3-methyl-1,2-dihydroquinoxaline

Chemical Property:

• Boiling Point: 300.9±35.0 °C(Predicted)
• PKA: 5.63±0.60(Predicted)
• PSA: 24.39000
• Density: 1.05±0.1 g/cm3(Predicted)
• LogP: 2.72280
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.115698455
• Heavy Atom Count: 14
• Complexity: 245

Purity/Quality:

99%min ^*data from raw suppliers

1,2-dihydro-3-methyl-2-(2-propen-1-yl)-Quinoxaline 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=CC=CC=C2NC1CC=C

Technology Process of 2-Allyl-3-methyl-1,2-dihydroquinoxaline

There total 1 articles about 2-Allyl-3-methyl-1,2-dihydroquinoxaline 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: 84.0%

2-methylquinoxaline (7251-61-8) + allylmagnesium bromide (1730-25-2) → 2-(2-propenyl)-3-methyl-1,2-dihydroquinoxaline (113477-68-2)

Guidance literature:

In tetrahydrofuran; diethyl ether; at -78 ℃; for 0.5h;

DOI:10.1016/S0040-4020(01)86883-6

Reference yield: 86.0%

2-(2-propenyl)-3-methyl-1,2-dihydroquinoxaline (113477-68-2) → 2-(2-propenyl)-3-methylquinoxaline (113477-48-8)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; Ambient temperature;

DOI:10.1016/S0040-4020(01)86883-6

upstream raw materials:

2-methylquinoxaline

allylmagnesium bromide

Downstream raw materials:

2-(2-propenyl)-3-methylquinoxaline

Refernces