3,6-Diethylpiperazine-2,5-dione

Base Information

• Chemical Name: 3,6-Diethylpiperazine-2,5-dione
• CAS No.: 5625-42-3
• Molecular Formula: C₈H₁₄N₂O₂
• Molecular Weight: 170.211
• DSSTox Substance ID: DTXSID001031777
• Mol file: 5625-42-3.mol

Synonyms:3,6-diethylpiperazine-2,5-dione;5625-42-3;3,6-diethyl-2,5-piperazinedione;2,5-Piperazinedione,3,6-diethyl-(6CI,7CI,8CI,9CI);SCHEMBL3843251;GWYVTXHULIXIAY-UHFFFAOYSA-N;DTXSID001031777;AKOS006308622;FT-0727987

Chemical Property of 3,6-Diethylpiperazine-2,5-dione

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 265-266℃
• Boiling Point: 440.974°C at 760 mmHg
• Flash Point: 206.453°C
• PSA: 58.20000
• Density: 1.021g/cm³
• LogP: 0.44720
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.105527694
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

98%Min ^*data from raw suppliers

3,6-DIETHYLPIPERAZINE-2,5-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(=O)NC(C(=O)N1)CC

Technology Process of 3,6-Diethylpiperazine-2,5-dione

There total 12 articles about 3,6-Diethylpiperazine-2,5-dione 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: 100.0%

2-aminobutanoic acid (2835-81-6) → 3,6-diethyl-piperazine-2,5-dione (5625-42-3)

Guidance literature:

In ethylene glycol; at 170 - 180 ℃; for 6h; Heating / reflux;

Reference yield: 80.0%

(3R,6R)-3,6-Diethyl-1,4-dihydroxy-piperazine-2,5-dione (83727-17-7) → (3R,6R)-3,6-Diethyl-piperazine-2,5-dione (5625-42-3,72882-82-7,72882-83-8)

Guidance literature:

With hydrogen; nickel; In methanol;

Reference yield:

3,6-Diethyl-1,4-dioxy-pyrazine-2,5-diol (83727-14-4) → (3R,6R)-3,6-Diethyl-piperazine-2,5-dione (5625-42-3,72882-82-7,72882-83-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 27 percent / H₂ / PtO₂ / methanol / 40 °C / 2942.03 Torr

2: 80 percent / H₂ / Raney Ni / methanol

With hydrogen; platinum(IV) oxide; nickel; In methanol;

upstream raw materials:

ethanol

2-(2-amino-butyrylamino)-butyric acid

diphenylamine

2-(2-bromo-butyrylamino)-butyric acid

Downstream raw materials:

3-chloro-2,5-diethylpyrazine

2-(2,4-Dimethoxy-phenyl)-3,6-diethyl-5-(5-fluoro-2-methoxy-phenyl)-pyrazine

2-chloro-5-(2,4-dimethoxy-phenyl)-3,6-diethyl-pyrazine

2,5-dichloro-3,6-diethylpyrazine 4-oxide