1,4-Piperazinedicarboxylic acid, diethyl ester

Base Information

• Chemical Name: 1,4-Piperazinedicarboxylic acid, diethyl ester
• CAS No.: 5470-28-0
• Molecular Formula: C10H18 N2 O4
• Molecular Weight: 230.264
• Hs Code.: 2933599090
• European Community (EC) Number: 226-801-7
• NSC Number: 26298
• UNII: 5FTM9SY0QO
• DSSTox Substance ID: DTXSID70203162
• Nikkaji Number: J50.587K
• Wikidata: Q83076515
• Mol file: 5470-28-0.mol

Synonyms:Diethyl piperazine-1,4-dicarboxylate;5470-28-0;1,4-Piperazinedicarboxylic acid, diethyl ester;Diethyl 1,4-piperazinedicarboxylate;1,4-Dicarbethoxy piperazine;EINECS 226-801-7;NSC 26298;5FTM9SY0QO;BRN 0216109;AI3-17493;NSC-26298;1,4-diethyl piperazine-1,4-dicarboxylate;4-23-00-00254 (Beilstein Handbook Reference);UNII-5FTM9SY0QO;SCHEMBL10985089;DTXSID70203162;WLN: T6N DNTJ AVO2 DVO2;Diethyl=1,4-piperazinedicarboxylate;NSC26298;AKOS003886322;LS-111490;1,4-PIPERAZINEDICARBOXYLIC ACID, 1,4-DIETHYL ESTER

Chemical Property of 1,4-Piperazinedicarboxylic acid, diethyl ester

Chemical Property:

• Vapor Pressure: 0.000451mmHg at 25°C
• Melting Point: 47°C
• Refractive Index: 1.4550 (estimate)
• Boiling Point: 315°Cat760mmHg
• Flash Point: 144.3°C
• PSA: 59.08000
• Density: 1.169g/cm³
• LogP: 0.79280
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 230.12665706
• Heavy Atom Count: 16
• Complexity: 223

Purity/Quality:

99% ^*data from raw suppliers

DIETHYL 1,4-PIPERAZINEDICARBOXYLATE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1CCN(CC1)C(=O)OCC

Technology Process of 1,4-Piperazinedicarboxylic acid, diethyl ester

There total 4 articles about 1,4-Piperazinedicarboxylic acid, diethyl ester 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: 99.0%

4-ethoxycarbonylpiperazine (120-43-4) + S-ethoxycarbonyl 4-methyl-1-piperazinecarbodithioate (84257-42-1) → diethyl piperazine-1,4-dicarboxylate (5470-28-0)

Guidance literature:

In diethyl ether; Ambient temperature;

Reference yield: 54.0%

piperazine (110-85-0) + chloroformic acid ethyl ester (541-41-3) → diethyl piperazine-1,4-dicarboxylate (5470-28-0)

Guidance literature:

With triethylamine; at 0 - 20 ℃;

DOI:10.1016/j.molstruc.2021.131020

Reference yield:

4-ethoxycarbonylpiperazine (120-43-4) + 5-propyl-benzo[1,3]dioxol-2-one + ethanol (64-17-5) → diethyl piperazine-1,4-dicarboxylate (5470-28-0)

Guidance literature:

5-propyl-benzo[1,3]dioxol-2-one; ethanol; With zinc(II) acetate dihydrate; at 50 ℃; for 16h; Sealed tube;

4-ethoxycarbonylpiperazine; In 2-methyltetrahydrofuran; at 25 ℃; for 16h; Sealed tube;

DOI:10.1002/cssc.201900406

upstream raw materials:

piperazine

chloroformic acid ethyl ester

4-ethoxycarbonylpiperazine

S-ethoxycarbonyl 4-methyl-1-piperazinecarbodithioate

Downstream raw materials:

N,N'-dimethylpiperazine

Refernces

• 1、 Dobi, Zoltán,Reddy, B. Narendraprasad,Renders, Evelien,Van Raemdonck, Laurent,Mensch, Carl,De Smet, Gilles,Chen, Chen,Bheeter, Charles,Sergeyev, Sergey,Herrebout, Wouter A.,Maes, Bert U. W.. "Carbamate Synthesis Using a Shelf-Stable and Renewable C1 Reactant". . p. 3103 - 3114. Retrieved 2019/06/24.