Products Categories
CAS No.: | 5625-67-2 |
---|---|
Name: | Piperazin-2-one |
Article Data: | 40 |
Molecular Structure: | |
Formula: | C4H8N2O |
Molecular Weight: | 100.12 |
Synonyms: | Piperazinone(8CI,9CI);2(1H)-Pyrazinone, tetrahydro-;2-Ketopiperazine;2-Oxopiperazine;3-Oxopiperazine;NSC 27441;Oxopiperazine;Piperazine-2-one; |
Density: | 1.053 g/cm3 |
Melting Point: | 136-140 °C(lit.) |
Boiling Point: | 307.1 °C at 760 mmHg |
Flash Point: | 166.3 °C |
Solubility: | Soluble in water. Soluble in ethanol, acetone, ethyl acetate |
Appearance: | Colourless solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38-43 |
Safety: | 26-36/37 |
Transport Information: | UN 1759 |
PSA: | 41.13000 |
LogP: | -0.63660 |
Conditions | Yield |
---|---|
With meso-tetraphenylporphyrin iron(III) chloride In dichloromethane at 22℃; for 0.166667h; Inert atmosphere; | 86% |
With [2-(4-hydroxymethyl)phenyl-4,4-(dimethyloxazole)Ru(CH3CN)4]PF6 In diethyl ether; water at 20℃; | 80% |
Conditions | Yield |
---|---|
Stage #1: chloroacetic acid ethyl ester; ethylenediamine In methanol at 0 - 5℃; for 4h; Stage #2: With sodium methylate In methanol at 20 - 25℃; Solvent; Reagent/catalyst; | 85.4% |
Stage #1: chloroacetic acid ethyl ester; ethylenediamine In ethanol at 20℃; for 5.5h; Stage #2: With sodium ethanolate In ethanol Stage #3: With N,N-dimethyl-formamide In ethanol at 20 - 70℃; for 24h; | 82% |
With potassium hydroxide In ethanol Heating; | 50% |
Stage #1: chloroacetic acid ethyl ester; ethylenediamine In ethanol at 20℃; for 2h; Stage #2: With sodium ethanolate In ethanol at 20℃; for 14h; Stage #3: at 200℃; for 0.0833333h; | 34.5% |
With ethanol |
Conditions | Yield |
---|---|
Stage #1: chloroacetic acid ethyl ester; diethylamine With sodium ethanolate In ethanol at 20℃; for 5.5h; Stage #2: In DMF (N,N-dimethyl-formamide) at 20 - 70℃; for 24h; | 82% |
Conditions | Yield |
---|---|
Stage #1: ethyl bromoacetate; ethylenediamine In ethanol at 20℃; for 2h; Stage #2: With sodium ethanolate at 20℃; | 79.84% |
Stage #1: ethyl bromoacetate; ethylenediamine In ethanol at 0 - 23℃; Stage #2: With sodium ethanolate In ethanol at 80℃; for 16h; Inert atmosphere; | 64% |
Conditions | Yield |
---|---|
With trifluoroacetic acid In ethanol | A n/a B 75% |
Conditions | Yield |
---|---|
With ammonium hydroxide; sodium ethanolate; ethylenediamine In methanol; ethanol; dichloromethane; N,N-dimethyl-formamide | 45% |
With ammonium hydroxide; sodium ethanolate; ethylenediamine In methanol; ethanol; dichloromethane; N,N-dimethyl-formamide | 45% |
With ammonium hydroxide; sodium ethanolate; ethylenediamine In methanol; ethanol; dichloromethane; N,N-dimethyl-formamide | 45% |
Conditions | Yield |
---|---|
With ammonium hydroxide; sodium ethanolate; ethylenediamine In ethanol; N,N-dimethyl-formamide | 45% |
With ammonium hydroxide; sodium ethanolate; ethylenediamine In ethanol; N,N-dimethyl-formamide | 45% |
With ammonium hydroxide; sodium ethanolate; ethylenediamine In ethanol; N,N-dimethyl-formamide | 45% |
Conditions | Yield |
---|---|
With sodium ethanolate; ethylenediamine In ethanol | A 34.5% B n/a |
Conditions | Yield |
---|---|
With potassium carbonate at 125℃; | 30% |
The Piperazine-2-One, with the CAS registry number 5625-67-2, is also known as 2-Oxopiperazine. It belongs to the product categories of Pharmacetical; Piperaizine; Ketone; Building Blocks; Heterocyclic Building Blocks; Piperazines; Non-Chiral heterocyclic compounds. This chemical's molecular formula is C4H8N2O and molecular weight is 100.12. Its IUPAC name is called piperazin-2-one. This chemical can be used as pharmaceutical intermediate. You should seal it in dark, cool and dry place.
Physical properties of Piperazine-2-One: (1)ACD/LogP: -1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.06; (4)ACD/LogD (pH 7.4): -1.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.29; (8)ACD/KOC (pH 7.4): 6.29; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.479; (13)Molar Refractivity: 50.3 cm3; (14)Molar Volume: 177.2 cm3; (15)Surface Tension: 38.8 dyne/cm; (16)Density: 1.129 g/cm3; (17)Flash Point: 171 °C; (18)Enthalpy of Vaporization: 60.46 kJ/mol; (19)Boiling Point: 359.1 °C at 760 mmHg; (20)Vapour Pressure: 2.44E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. This chemical may cause cancer. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CNC(=O)CN1
(2)InChI: InChI=1S/C4H8N2O/c7-4-3-5-1-2-6-4/h5H,1-3H2,(H,6,7)
(3)InChIKey: IWELDVXSEVIIGI-UHFFFAOYSA-N