CAS No.120-43-4,Ethyl N-piperazinecarboxylate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	120-43-4
Name:	Ethyl N-piperazinecarboxylate
Article Data:	28

Formula:	C₇H₁₄N₂O₂
Molecular Weight:	158.2
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;
EINECS:	204-395-2
Density:	1.071 g/cm³
Melting Point:	120 °C
Boiling Point:	237 °C at 760 mmHg
Flash Point:	97.1 °C
Solubility:	soluble in water
Appearance:	clear light yellow oily liquid
Hazard Symbols:	Xn,T
Risk Codes:	22-36/37/38-20/21/22
Safety:	23-24/25-37/39-26-36
Transport Information:	UN 2810 6.1/PG 3
PSA:	41.57000
LogP:	0.31480

Synthetic route

: 110-85-0
piperazine

: 105-58-8
Diethyl carbonate

: 120-43-4
4-ethoxycarbonylpiperazine

Conditions

Conditions	Yield
at 80℃; for 3h;	98.5%

: 59325-12-1
1-(ethylcarboxy)-4-benzylpiperazine

: 120-43-4
4-ethoxycarbonylpiperazine

Conditions

Conditions	Yield
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

Conditions	Yield
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

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

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

Conditions	Yield
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

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

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;

...Expand

: tert-butyl 4-ethoxycarbonylpiperazine-1-carboxylate

: 120-43-4
4-ethoxycarbonylpiperazine

Conditions

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

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

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Consensus Reports

Reported in EPA TSCA Inventory.

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.