Decahydroquinoxalin-2-one

Base Information

• Chemical Name: Decahydroquinoxalin-2-one
• CAS No.: 90242-76-5
• Molecular Formula: C₈H₁₄N₂O
• Molecular Weight: 154.212
• DSSTox Substance ID: DTXSID20552576
• Mol file: 90242-76-5.mol

Synonyms:decahydroquinoxalin-2-one;90242-76-5;OCTAHYDROQUINOXALIN-2(1H)-ONE;octahydro-2(1H)-Quinoxalinone;Octahydro-quinoxalin-2-one;3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one;(4aR,8aR)-octahydroquinoxalin-2(1H)-one;2(1H)-Quinoxalinone,octahydro-,(4aR,8aS)-rel-(9CI);32044-24-9;(4aS,8aS)-octahydroquinoxalin-2(1H)-one;114612-38-3;32044-23-8;323580-96-7;(4aR,8aR)-decahydroquinoxalin-2-one;SCHEMBL796903;DTXSID20552576;MFCD12190058;AKOS009286213;AS-47551;EN300-75927;F14272;F8889-6754;Z429372672

Chemical Property of Decahydroquinoxalin-2-one

Chemical Property:

• PSA: 44.62000
• LogP: 0.62170
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 154.110613074
• Heavy Atom Count: 11
• Complexity: 170

Purity/Quality:

97% ^*data from raw suppliers

Octahydro-1H-quinoxalin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2C(C1)NCC(=O)N2

Technology Process of Decahydroquinoxalin-2-one

There total 3 articles about Decahydroquinoxalin-2-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: 40.0%

7-azabicyclo[4.1.0]heptane (286-18-0) + glycine (56-40-6,18875-39-3,25718-94-9) → trans-Decahydro-2(1H)-quinoxalinone (32044-23-8,32044-24-9,90242-76-5,114612-38-3,323580-96-7)

Guidance literature:

With ammonium chloride; In water; for 1.5h; Heating;

DOI:10.1002/jhet.5570240512

Reference yield:

→ cis-Decahydro-chinoxalin-2-on (32044-23-8,32044-24-9,90242-76-5,114612-38-3,323580-96-7)

Guidance literature:

5,6,7,8-Tetrahydro-chinoxazolon-(2), H2, Pt, absol. Aethanol oder Essigsaeure, 50-70grad ca. 5.5 at;

Reference yield:

→ trans-Decahydro-2(1H)-quinoxalinone (32044-23-8,32044-24-9,90242-76-5,114612-38-3,323580-96-7)

Guidance literature:

trans-1,2-Diamino-cyclohexan-dihydrochlorid in wss. NaOH 1) Chloressigsaeure 2) wss. NH4OH;

upstream raw materials:

7-azabicyclo[4.1.0]heptane

glycine