3,6-Dimethylpiperazine-2,5-dione

Base Information

• Chemical Name: 3,6-Dimethylpiperazine-2,5-dione
• CAS No.: 5625-46-7
• Molecular Formula: C6H10 N2 O2
• Molecular Weight: 142.158
• European Community (EC) Number: 227-058-1
• NSC Number: 29655
• DSSTox Substance ID: DTXSID60971681
• Nikkaji Number: J47.195J
• Mol file: 5625-46-7.mol

Synonyms:3,6-dimethylpiperazine-2,5-dione

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

Chemical Property:

• Vapor Pressure: 2.14E-08mmHg at 25°C
• Melting Point: 283-285 °C(lit.)
• Refractive Index: 1.5010 (estimate)
• Boiling Point: 453°Cat760mmHg
• PKA: 12.97±0.60(Predicted)
• Flash Point: 227.9°C
• Density: 1.081g/cm³
• Storage Temp.: Store below +30°C.
• Solubility.: 1 M HCl: soluble25mg/mL, clear, colorless to light yellow
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.074227566
• Heavy Atom Count: 10
• Complexity: 159

Purity/Quality:

98%,99%, ^*data from raw suppliers

Alanine anhydride ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)NC(C(=O)N1)C

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

There total 41 articles about 3,6-Dimethylpiperazine-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: 63.0%

rac-Ala-OH (302-72-7,25191-17-7,18875-37-1) → cyclo(-DL-Ala-DL-Ala-) (5625-46-7,5845-62-5)

Guidance literature:

With Silochrom C-120; at 170 - 180 ℃; under 0.1 Torr;

Reference yield: 43.0%

DL-α-alanylalanine (1115-78-2,1948-31-8,2867-20-1,3695-80-5,56271-29-5,59247-16-4,90580-65-7,90760-70-6,99265-26-6,923-16-0,110652-05-6,210687-33-5,2392-61-2) → cyclo(-DL-Ala-DL-Ala-) (5625-46-7,5845-62-5)

Guidance literature:

With silica gel; In gas; at 170 - 190 ℃; under 0.08 Torr;

DOI:10.1135/cccc19940461

Reference yield:

alanyl=>alanyl=>leucine (54865-20-2) + β-naphthol (135-19-3) → LEUCINE (328-39-2,21675-61-6,25248-98-0,70-45-1) + cyclo(-DL-Ala-DL-Ala-) (5625-46-7,5845-62-5)

Guidance literature:

at 135 - 150 ℃;

upstream raw materials:

3-methyl-6-methylene-piperazine-2,5-dione

ethanol

DL-α-alanylalanine

rac-Ala-OMe

Downstream raw materials:

1,4-dibenzyl-3,6-dimethyl-2,5-dioxopiperazine

DL-α-alanylalanine

2,5-dimethyl-3-chloropyrazine

2,5-dichloro-3,6-dimethylpyrazine