Decahydroquinoxaline

Base Information

• Chemical Name: Decahydroquinoxaline
• CAS No.: 90410-24-5
• Molecular Formula: C₈H₁₆N₂
• Molecular Weight: 140.228
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70591551
• Mol file: 90410-24-5.mol

Synonyms:decahydroquinoxaline;90410-24-5;DECAHYDRO-QUINOXALINE;cis-Decahydro-quinoxaline;1,2,3,4,4A,5,6,7,8,8A-DECAHYDROQUINOXALINE;118948-26-8;trans-Decahydro-quinoxaline;MFCD00092162;32044-25-0;SCHEMBL214038;AMY1749;DTXSID70591551;MDEXMBGPIZUUBI-UHFFFAOYSA-N;2,5-diazabicyclo[4.0.4]decane;AKOS006283534;AB03307;AB37010;AB37011;SB31605;SB37457;(4AS,8AS)-DECAHYDRO-QUINOXALINE;AS-47515;SY022805;CS-0271712;EN300-75926;F14030;A860805;Z1184886650

Chemical Property of Decahydroquinoxaline

Chemical Property:

• Vapor Pressure: 0.062mmHg at 25°C
• Boiling Point: 231.555°C at 760 mmHg
• Flash Point: 115.861°C
• PSA: 24.06000
• Density: 0.932g/cm³
• LogP: 1.14800
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 140.131348519
• Heavy Atom Count: 10
• Complexity: 99.8

Purity/Quality:

97% ^*data from raw suppliers

Decahydroquinoxaline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2C(C1)NCCN2
• Uses: Decahydroquinoxaline is a useful reagent in the preparation of piperazines via the biocatalytic reaction of diamines with dicarbonyl compounds.

Technology Process of Decahydroquinoxaline

There total 11 articles about Decahydroquinoxaline 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: 98.0%

trans-1,2-Diaminocyclohexane (1121-22-8,1436-59-5,20439-47-8,21436-03-3,41013-43-8,694-83-7) + ethylene glycol (107-21-1) → (+/-)-trans-decahydroquinoxaline (32044-25-0,51773-44-5,90410-24-5,118948-26-8)

Guidance literature:

With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; trifluoroacetic acid; for 17h; Inert atmosphere; Heating;

DOI:10.1002/ejoc.201201099

Reference yield: 94.0%

→ cis-octahydroquinoxaline (32044-25-0,90410-24-5)

Guidance literature:

Reference yield:

2,3-diethynylquinoxaline (91-19-0) → cis-octahydroquinoxaline (32044-25-0,90410-24-5)

Guidance literature:

With palladium on activated charcoal; ethanol; at 180 ℃; under 36775.4 Torr; Hydrogenation;

upstream raw materials:

2,3-diethynylquinoxaline

1,2,3,4-tetrahydroquinoxaline

cyclohexane-1,2-dione

ethylenediamine

Downstream raw materials:

<4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-trans-octahydroquinoxalin-1-yl>furan-2-ylmethanone

benzyl trans-perhydro-1-quinoxalinecarboxylate

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