Ethyl 1-piperazinecarboxylate
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Ethyl 1-piperazinecarboxylate
structure -
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CAS No:
120-43-4
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Formula:
C7H14N2O2
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Chemical Name:
Ethyl 1-piperazinecarboxylate
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Synonyms:
1-Piperazinecarboxylic acid,ethyl ester;N-(Ethoxycarbonyl)piperazine;1-Carbethoxypiperazine;1-(Ethoxycarbonyl)piperazine;Ethyl 1-piperazinecarboxylate;N-Carbethoxypiperazine;Ethyl N-piperazinecarboxylate;1-Carboethoxypiperazine;N-Carboethoxypiperazine;4-Carbethoxypiperazine;NSC 21060;NSC 22134;NSC 280827;N-Ethoxylcarbonylpiperazine;N-Ethoxycarbonylpiperazine;Ethoxycarbonylpiperazine
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CAS No:
Ethyl 1-piperazinecarboxylate Basic Attributes
158.2
158.20
125780
204-395-2
22134|21060
DTXSID7059511
29335995
Characteristics
41.6
-0.2
Clear light yellow Oily Liquid
1.08 g/mL at 25 °C(lit.)
163-164 °C @ Solvent: Ethanol
237 °C
>230 °F
n20/D 1.477(lit.)
soluble
Store below +30°C.
0.0459mmHg at 25°C
Safety Information
III
6.1(b)
UN 2810 6.1/PG 3
3
22-36/37/38-20/21/22
23-24/25-37/39-26-36
TL1378000
Xn,T
Toxic
Stable under normal temperatures and pressures.
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (86.54%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 52 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Ethyl 1-piperazinecarboxylate Use and Manufacturing
The reaction flask was charged with piperazine (2 g, 23.2 mmol)And water (10 mL), 25 ° C Stir and dissolve completely, Cooled to 0 ° C, A solution of ethyl chloroformate (1.26 g, 11.6 mmol) in methanol (20 mL) was slowly added dropwise.Drop finished, Stirring at 25 ° C for 4 h, Stop stirring.A saturated aqueous sodium chloride solution (30 mL) was added to the reaction solution, Dichloromethane (200 mL), Extraction stratification, The organic layer was dried over anhydrous sodium sulfate.The solvent was distilled off under reduced pressure, Purification by crude column chromatography (dichloromethane / methanol (V / V) = 40/1)A white solid (0.62 g, 33.7percent)piperazine (2g, 23.2 mmol) was added to the dry reaction flask in this order, Water (10mL), stirred at 25 °C to dissolve completely, After cooling to 0 °C, a solution of ethyl chloroformate (1.26 g, 11.6 mmol) in methanol (20 mL) was slowly added dropwise.Bi completed, stirring at 25°C 4h, stop stirring.To the reaction mixture, saturated aqueous sodium chloride solution (30 mL) and methylene chloride (200 mL) were sequentially added, and the layers were separated and the organic layer was dried over anhydrous sodium sulfate. The solvent was distilled off under reduced pressure and the crude product was purified by column chromatography (methylene chloride / methanol (V / V) = 40/1) to give a white solid (0.62 g, 33.7percent).In the case of a rectification unit, A thermometer and a stirrer were charged 177.2 g of diethyl carbonate and 129.2 g of anhydrous piperazine;Stirring evenly, gradually warming to 80°C , constant temperature reaction 3h, The temperature of the distillate is controlled at about 60~70°C , After the basic non-distillate is separated, Heating to 90°C ~ 100°C vacuum distillation to remove low boiling point by-products and impurities, A clear colorless product was obtained 233.8 g (actual yield 98.5percent).
1-Piperazinecarboxylic acid, ethyl ester: ACTIVE
Computed Properties
Molecular Weight:158.20
XLogP3:-0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:158.105527694
Monoisotopic Mass:158.105527694
Topological Polar Surface Area:41.6
Heavy Atom Count:11
Complexity:132
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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