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

Base Information

• Chemical Name: 3-Ethyl-3,4-dihydroquinoxalin-2(1H)-one
• CAS No.: 66366-98-1
• Molecular Formula: C10H12N2O
• Molecular Weight: 176.21500
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60409651
• Nikkaji Number: J2.357.804B
• Mol file: 66366-98-1.mol

Synonyms:66366-98-1;3-ETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-ONE;3-ethyl-3,4-dihydro-1H-quinoxalin-2-one;2(1H)-Quinoxalinone,3-ethyl-3,4-dihydro-(9CI);HMS1547L20;3-Ethyl-3,4-dihydro-2(1H)-quinoxalinone;TimTec1_004838;Oprea1_480314;SCHEMBL11445118;DTXSID60409651;YRELTDGOEVJYLO-UHFFFAOYSA-N;Cl-1120;AKOS017517064;3-ethyl-1,2,3,4-tetrahydroquinoxalin-2-one

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

Chemical Property:

• Boiling Point: 367.6±31.0 °C(Predicted)
• PKA: 13.28±0.40(Predicted)
• PSA: 44.62000
• Density: 1.085±0.06 g/cm3(Predicted)
• LogP: 2.05230
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.094963011
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

3-ETHYL-3,4-DIHYDRO-2-(1H)QUINOXALINONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(=O)NC2=CC=CC=C2N1

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

There total 3 articles about 3-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: 97.0%

1,2-diamino-benzene (95-54-5) + 2-bromobutyric acid ethyl ester (533-68-6) → 3-ethyl-3,4-dihydro-1H-quinoxalin-2-one (66366-98-1)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; at 190 ℃; for 0.1h; microwave irradiation;

DOI:10.3987/COM-06-10793

Reference yield: 95.0%

3-ethyl-3,4-dihydroquinoxalin-2(1H)-one (13297-35-3) → 3-ethyl-3,4-dihydro-1H-quinoxalin-2-one (66366-98-1)

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: 92.0%

Ethyl 2-oxobutanoate (15933-07-0) + 1,2-diamino-benzene (95-54-5) → 3-ethyl-3,4-dihydro-1H-quinoxalin-2-one (66366-98-1)

Guidance literature:

With tris(pentafluorophenyl)borate; In toluene; at 110 ℃; for 3h;

DOI:10.1039/c7gc03095a

upstream raw materials:

1,2-diamino-benzene

2-bromobutyric acid ethyl ester

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

Ethyl 2-oxobutanoate

Downstream raw materials:

3-ethyl-6-phenyl-1H,6H-pyrrolo[1,2,3-de]quinoxaline-2,5-dione