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Ethyl N-piperazinecarboxylate
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  • Name Ethyl N-piperazinecarboxylate
  • EINECS204-395-2
  • CAS No. 120-43-4
  • Density1.071 g/cm3
  • PSA41.57000
  • LogP0.31480
  • Solubilitysoluble in water
  • Melting Point120 °C
  • FormulaC7H14N2O2
  • Boiling Point237 °C at 760 mmHg
  • Molecular Weight158.2
  • Flash Point97.1 °C
  • Transport InformationUN 2810 6.1/PG 3
  • Appearanceclear light yellow oily liquid
  • Safety23-24/25-37/39-26-36
  • Risk Codes22-36/37/38-20/21/22
  • Molecular Structure
    Molecular Structure of 120-43-4 (Ethyl N-piperazinecarboxylate)
  • Hazard SymbolsHarmfulXn,ToxicT
  • SynonymsHarmfulXn,ToxicT
  • Article Data28

Ethyl N-piperazinecarboxylate Synthetic route

110-85-0

piperazine

105-58-8

Diethyl carbonate

120-43-4

4-ethoxycarbonylpiperazine

Conditions
ConditionsYield
at 80℃; for 3h;98.5%
59325-12-1

1-(ethylcarboxy)-4-benzylpiperazine

120-43-4

4-ethoxycarbonylpiperazine

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In ethanol under 2206.5 Torr; for 4h;78%

piperazine-1,4-dicarboxylic acid ethyl ester methyl ester

120-43-4

4-ethoxycarbonylpiperazine

Conditions
ConditionsYield
With L-Selectride In tetrahydrofuran at 20℃; for 48h;69%
110-85-0

piperazine

541-41-3

chloroformic acid ethyl ester

120-43-4

4-ethoxycarbonylpiperazine

Conditions
ConditionsYield
In methanol; water at 0 - 25℃; for 4h;33.7%
In methanol; water at 0 - 25℃; for 4h;33.7%
bei pH 2.8-4.6;
86366-60-1

bis-cyanomethyl-carbamic acid ethyl ester

120-43-4

4-ethoxycarbonylpiperazine

Conditions
ConditionsYield
With ethanol; nickel Hydrogenation;
205432-12-8

O2-(2,4-dinitrophenyl) 1-[(4-ethoxycarbonyl)piperazin-1-yl]diazen-1-ium-1,2-diolate

120-43-4

4-ethoxycarbonylpiperazine

Conditions
ConditionsYield
With GLUTATHIONE; glutathione S-transferase P1-1 at 37℃; pH=7.4; Kinetics; Reagent/catalyst; Enzymatic reaction;
pentaerythritol tetraglycidylether (PETGE)

pentaerythritol tetraglycidylether (PETGE)

3126-63-4

pentaerythritol tetraglycidyl ether

120-43-4

4-ethoxycarbonylpiperazine

Conditions
ConditionsYield
In methanol
110-85-0

piperazine

19213-72-0

ethyl 1-imidazolecarboxylate

142-64-3

piperazine dihydrochloride

120-43-4

4-ethoxycarbonylpiperazine

Conditions
ConditionsYield
Stage #1: piperazine; piperazine dihydrochloride In water for 0.0833333h;
Stage #2: ethyl 1-imidazolecarboxylate With sodium chloride In water for 0.5h;
Stage #3: With sodium hydroxide In water chemoselective reaction;

tert-butyl 4-ethoxycarbonylpiperazine-1-carboxylate

120-43-4

4-ethoxycarbonylpiperazine

Conditions
ConditionsYield
With hydrogenchloride; water In dichloromethane at 20℃;
Stage #1: tert-butyl 4-ethoxycarbonylpiperazine-1-carboxylate With trifluoroacetic acid In dichloromethane at 0 - 20℃; Inert atmosphere;
Stage #2: With ammonia In dichloromethane; water Inert atmosphere; Cooling;
205432-12-8

O2-(2,4-dinitrophenyl) 1-[(4-ethoxycarbonyl)piperazin-1-yl]diazen-1-ium-1,2-diolate

A

120-43-4

4-ethoxycarbonylpiperazine

B

26289-39-4

S-(2,4-dinitrophenyl)glutathione

Conditions
ConditionsYield
With glutathione-S-transferase; glutathion; d(TTTTTTTTAGGATCATGGTGATGCTCTACGTGCCGTAGCCTTTTTTTTT); calcium chloride; magnesium chloride for 0.166667h; pH=7.4; Enzymatic reaction;

Ethyl N-piperazinecarboxylate Consensus Reports

Reported in EPA TSCA Inventory.

Ethyl N-piperazinecarboxylate Specification

The IUPAC name of Ethylcarbonyl piperazine is ethyl piperazine-1-carboxylate. With the CAS registry number 120-43-4, it is also named as Piperazine ethylcarboxylate. The product's categories are Piperidine; Piperidines, Piperidones, Piperazines. Besides, it is clear light yellow oily liquid, which should be stored in sealed, cool, dry place away from combustion source and oxidizing agents. And you should ensure that the workplace has good ventilated devices. In addition, its molecular formula is C7H14N2O2 and molecular weight is 158.20.

The other characteristics of this product can be summarized as: (1)EINECS: 204-395-2; (2)ACD/LogP: -0.14; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -1.98; (5)ACD/LogD (pH 7.4): -0.42; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 10.5; (10)#H bond acceptors: 4; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 2; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 40.94 cm3; (15)Molar Volume: 147.6 cm3; (16)Surface Tension: 35.6 dyne/cm; (17)Density: 1.071 g/cm3; (18)Flash Point: 97.1 °C; (19)Melting point: 120 °C; (20)Enthalpy of Vaporization: 47.38 kJ/mol; (21)Boiling Point: 237 °C at 760 mmHg; (22)Vapour Pressure: 0.0459 mmHg at 25 °C.

Uses of Ethylcarbonyl piperazine: this chmical is mainly used as dye intermediate. Additionally, it can react with Chloromethyl-benzene to get 4-benzyl-πperazine-1-carboxylic acid ethyl ester.



This reaction needs NaHCO3 and aq. Ethanol by heating for 18 hours. The yield is 99 %.

When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. Please do not breathe vapour. And you should avoid contact with skin and eyes. Moreover, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. Besides, you can wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC)N1CCNCC1
(2)InChI: InChI=1/C7H14N2O2/c1-2-11-7(10)9-5-3-8-4-6-9/h8H,2-6H2,1H3
(3)InChIKey: LNOQURRKNJKKBU-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H14N2O2/c1-2-11-7(10)9-5-3-8-4-6-9/h8H,2-6H2,1H3
(5)Std. InChIKey: LNOQURRKNJKKBU-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 138mg/kg (138mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)		 Oyo Yakuri. Pharmacometrics. Vol. 33, Pg. 825, 1987.

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