Ethyl N-piperazinecarboxylate

Base Information

• Chemical Name: Ethyl N-piperazinecarboxylate
• CAS No.: 120-43-4
• Molecular Formula: C7H14N2O2
• Molecular Weight: 158.2
• Hs Code.: 29335995
• European Community (EC) Number: 204-395-2
• NSC Number: 22134,21060
• UNII: 29325GHS9J
• DSSTox Substance ID: DTXSID7059511
• Nikkaji Number: J19A
• Wikidata: Q24008333
• ChEMBL ID: CHEMBL213851
• Mol file: 120-43-4.mol

Synonyms:120-43-4;Ethyl piperazine-1-carboxylate;Ethyl N-piperazinecarboxylate;Ethyl 1-piperazinecarboxylate;N-Carbethoxypiperazine;1-Carbethoxypiperazine;1-PIPERAZINECARBOXYLIC ACID, ETHYL ESTER;1-Carboethoxypiperazine;N-(Ethoxycarbonyl)piperazine;1-(Ethoxycarbonyl)piperazine;Ethyl 1-piperazinocarboxylate;Ethylcarbonyl piperazine;Piperazine ethylcarboxylate;N-ethoxycarbonylpiperazine;1-Ethoxycarbonylpiperazine;NSC 21060;Piperazine-1-carboxylic acid ethyl ester;ethoxycarbonylpiperazine;n-carbethoxy piperazine;N-Carboethoxy piperazine;EINECS 204-395-2;BRN 0125780;Ethyl N-piperazinocarboxylate;NSC-21060;1-Piperazinecarboxylic Acid Ethyl Ester;5-23-01-00055 (Beilstein Handbook Reference);ethyl piperazinecarboxylate;MFCD00005964;carbethoxypiperazine;n-carboethoxypiperazine;1-carbethoxy-piperazine;Piperazine-N-carboxylic acid ethyl ester;ethoxycarbonyl piperazine;ethyloxycarbonylpiperazine;ethyl piperazincarboxylate;4-ethoxycarbonylpiperazine;1-ethoxycarbonyl piperazine;1-ethoxycarbonyl-piperazine;4-ethoxycarbonyl-piperazine;ethyl piperazine carboxylate;ethyl 1-piperazincarboxylate;ethyl-n-piperazinocarboxylate;N-ethoxy carbonyl piperazine;4-ethoxy carbonyl piperazine;ethyl I-piperazinecarboxylate;Ethyl-1-piperizinecarboxylate;Ethylpiperazine-1-carboxylate;ethyl 1-piperazinylcarboxylate;ethyl-N-piperazine carboxylate;SCHEMBL113765;ethyl 1-piperazine carboxylate;ethyl 1-piperazine-carboxylate;ethyl 1-piperazinec-arboxylate;ethyl piperazine-4-carboxylate;ethyl-1-piperazine carboxylate;ethyl-1-piperizine carboxylate;CHEMBL213851;DTXSID7059511;29325GHS9J;Piperazine-1-carboxylic acid ethyl;ETHYL-N-PIPERAZINECARBOXYLATE;NSC21060;NSC22134;Ethyl 1-piperazinecarboxylate, 99%;NSC-22134;STL384206;piperazinecarboxylic acid, ethyl ester;AKOS000119682;CS-W013283;SB40708;N-piperazine carboxylic acid ethyl ester;DS-13407;LS-110897;AM20080143;FT-0631691;P1349;EN300-20101;1-PIPERAZINE CARBOXYLIC ACID ETHYL ETSER;A804505;J-004342;Q24008333;F2190-0345;Z104476848

Chemical Property of Ethyl N-piperazinecarboxylate

Chemical Property:

• Appearance/Colour: clear light yellow oily liquid
• Vapor Pressure: 0.0459mmHg at 25°C
• Melting Point: 120 °C
• Refractive Index: n20/D 1.477(lit.)
• Boiling Point: 237 °C at 760 mmHg
• PKA: 8.50±0.10(Predicted)
• Flash Point: 97.1 °C
• PSA: 41.57000
• Density: 1.071 g/cm³
• LogP: 0.31480
• Storage Temp.: Store below +30°C.
• Water Solubility.: soluble
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 158.105527694
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 1-Piperazinecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,T
• Hazard Codes: Xn,T
• Statements: 22-36/37/38-20/21/22
• Safety Statements: 23-24/25-37/39-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)N1CCNCC1
• Uses: Intermediate.

Technology Process of Ethyl N-piperazinecarboxylate

There total 12 articles about Ethyl N-piperazinecarboxylate 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: 98.5%

piperazine (110-85-0) + Diethyl carbonate (105-58-8,76619-83-5) → 4-ethoxycarbonylpiperazine (120-43-4)

Guidance literature:

at 80 ℃; for 3h;

Reference yield: 78.0%

1-(ethylcarboxy)-4-benzylpiperazine (59325-12-1) → 4-ethoxycarbonylpiperazine (120-43-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 4h; under 2206.5 Torr;

Reference yield: 69.0%

piperazine-1,4-dicarboxylic acid ethyl ester methyl ester → 4-ethoxycarbonylpiperazine (120-43-4)

Guidance literature:

With L-Selectride; In tetrahydrofuran; at 20 ℃; for 48h;

DOI:10.1016/S0040-4039(98)02018-8

upstream raw materials:

piperazine

chloroformic acid ethyl ester

bis-cyanomethyl-carbamic acid ethyl ester

1-(ethylcarboxy)-4-benzylpiperazine

Downstream raw materials:

4-(toluene-4-sulfonylmethyl)-piperazine-1-carboxylic acid ethyl ester

ethyl 4-methyl-1-piperazinecarboxylate

2-(4-ethoxycarbonyl-piperazino)-propionic acid ethyl ester

4-decyl-piperazine-1-carboxylic acid ethyl ester

Refernces

• 1、 Das et al.. "-". . p. 890. Retrieved 1971.
• 2、 -. "Heteroaryl substituted dihydro pyrimidine compounds and their use in medicine". Paragraph 0458; 0461; 0462. . Retrieved 2018/02/23.
• 3、 -. "BENZOPIPERIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND HEMOGLOBINOPATHIES". Page/Page column 52. . Retrieved 2017/09/27.