4-Ethyl-3,4-dihydroquinoxalin-2(1H)-one

Base Information

• Chemical Name: 4-Ethyl-3,4-dihydroquinoxalin-2(1H)-one
• CAS No.: 90917-94-5
• Molecular Formula: C₁₀H₁₂N₂O
• Molecular Weight: 176.218
• DSSTox Substance ID: DTXSID80391923
• Nikkaji Number: J1.205.984A
• Wikidata: Q82189731
• Mol file: 90917-94-5.mol

Synonyms:4-ETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-ONE;90917-94-5;4-ethyl-1,3-dihydroquinoxalin-2-one;SCHEMBL14218702;DTXSID80391923;AKOS017281853;4-Ethyl-3,4-dihydroquinoxaline-2(1H)-one;4-ethyl-1,2,3,4-tetrahydroquinoxalin-2-one;F79840

Chemical Property of 4-Ethyl-3,4-dihydroquinoxalin-2(1H)-one

Chemical Property:

• PSA: 35.83000
• LogP: 1.61510
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.094963011
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

4-Ethyl-3,4-dihydroquinoxalin-2(1H)-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CC(=O)NC2=CC=CC=C21

Technology Process of 4-Ethyl-3,4-dihydroquinoxalin-2(1H)-one

There total 2 articles about 4-Ethyl-3,4-dihydroquinoxalin-2(1H)-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: 67.0%

ethyl bromide (74-96-4) + 1,2,3,4-tetrahydroquinoxalin-2-one (59564-59-9) → 4-ethyl-1,2,3,4-tetrahydroquinoxalinone-2 (90917-94-5)

Guidance literature:

With potassium carbonate; In methanol; for 25h; Heating;

DOI:10.1007/PL00010188

Reference yield:

ethyl iodide (75-03-6) + 1,2,3,4-tetrahydroquinoxalin-2-one (59564-59-9) → 4-ethyl-1,2,3,4-tetrahydroquinoxalinone-2 (90917-94-5)

Guidance literature:

With ethanol; sodium carbonate;

DOI:10.1021/jo01084a014

Reference yield:

4-ethyl-1,2,3,4-tetrahydroquinoxalinone-2 (90917-94-5) → 1-ethyl-1,2,3,4-tetrahydroquinoxaline (73855-46-6)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

DOI:10.1021/jo01084a014

upstream raw materials:

ethyl iodide

1,2,3,4-tetrahydroquinoxalin-2-one

ethyl bromide

Downstream raw materials:

1-ethyl-1,2,3,4-tetrahydroquinoxaline