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Cas Database |
| Name |
Ethyl N-piperazinecarboxylate |
EINECS | 204-395-2 |
| CAS No. | 120-43-4 | Density | 1.071 g/cm3 |
| PSA | 41.57000 | LogP | 0.31480 |
| Solubility | soluble in water | Melting Point |
120 °C |
| Formula | C7H14N2O2 | Boiling Point | 237 °C at 760 mmHg |
| Molecular Weight | 158.2 | Flash Point | 97.1 °C |
| Transport Information | UN 2810 6.1/PG 3 | Appearance | clear light yellow oily liquid |
| Safety | 23-24/25-37/39-26-36 | Risk Codes | 22-36/37/38-20/21/22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, T
|
| Synonyms |
1-(Ethoxycarbonyl)piperazine;1-Carbethoxypiperazine;1-Carboethoxypiperazine;4-Carbethoxypiperazine;Ethyl1-piperazinecarboxylate;N-(Ethoxycarbonyl)piperazine;N-Carbethoxypiperazine;N-Carboethoxypiperazine;NSC 21060;NSC 22134;NSC 280827; |
Article Data | 28 |
Ethyl N-piperazinecarboxylate Synthetic route
| Conditions | Yield |
|---|---|
| at 80℃; for 3h; | 98.5% |
- 59325-12-1
1-(ethylcarboxy)-4-benzylpiperazine
- 120-43-4
4-ethoxycarbonylpiperazine
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In ethanol under 2206.5 Torr; for 4h; | 78% |
- 120-43-4
4-ethoxycarbonylpiperazine
| Conditions | Yield |
|---|---|
| With L-Selectride In tetrahydrofuran at 20℃; for 48h; | 69% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With GLUTATHIONE; glutathione S-transferase P1-1 at 37℃; pH=7.4; Kinetics; Reagent/catalyst; Enzymatic reaction; |
| Conditions | Yield |
|---|---|
| In methanol |
- 110-85-0
piperazine
- 19213-72-0
ethyl 1-imidazolecarboxylate
- 142-64-3
piperazine dihydrochloride
- 120-43-4
4-ethoxycarbonylpiperazine
| Conditions | Yield |
|---|---|
| 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; |
- 120-43-4
4-ethoxycarbonylpiperazine
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With glutathione-S-transferase; glutathion; d(TTTTTTTTAGGATCATGGTGATGCTCTACGTGCCGTAGCCTTTTTTTTT); calcium chloride; magnesium chloride for 0.166667h; pH=7.4; Enzymatic reaction; |
Ethyl N-piperazinecarboxylate Consensus Reports
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.
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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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