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piperazine
2-bromoethanol
A
1-(2-hydroxyethyl)piperazine
B
1,4-bis(2-hydroxyethyl)piperazine
Conditions | Yield |
---|---|
With hydrogenchloride In methanol; water for 2.5h; pH=8.5; pH-value; Reagent/catalyst; Inert atmosphere; | A 86.2% B n/a |
Conditions | Yield |
---|---|
With hydrogen at 180 - 200℃; under 60006 Torr; for 10h; Product distribution / selectivity; Autoclave; Inert atmosphere; | 79% |
With water at 150℃; under 26478.3 Torr; Anfangsdruck, unter CO2; | |
With phosphoric acid at 250℃; unter CO2; |
Conditions | Yield |
---|---|
With potassium carbonate; sodium iodide In acetonitrile for 18h; Reflux; Inert atmosphere; | 45% |
Conditions | Yield |
---|---|
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; sodium hydrogencarbonate In water at 140℃; for 96h; Inert atmosphere; Heating; | A 30% B 27% |
oxirane
piperazine
A
1-(2-hydroxyethyl)piperazine
B
1,4-bis(2-hydroxyethyl)piperazine
Conditions | Yield |
---|---|
With methanol | |
With methanol |
Conditions | Yield |
---|---|
With methanol | |
Yield given; |
Conditions | Yield |
---|---|
at 105℃; | |
With ethanol |
Conditions | Yield |
---|---|
auf Siedetemperatur; |
Conditions | Yield |
---|---|
With sodium carbonate; ethylene dibromide |
Conditions | Yield |
---|---|
With water |
Reported in EPA TSCA Inventory.
The CAS registry number of 1,4-Piperazinediethanol is 122-96-3. The IUPAC name is with the molecular formula C8H18N2O2. In addition, it is a white crystalline powder which can be used as chemical reagents and organic intermediates. What's more, it should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: -1.14; (2)ACD/LogD (pH 5.5): -2.28; (3)ACD/LogD (pH 7.4): -1.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 4.91; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 24.94 Å2; (12)Index of Refraction: 1.507; (13)Molar Refractivity: 47.3 cm3; (14)Molar Volume: 158.7 cm3; (15)Polarizability: 18.75 ×10-24cm3; (16)Surface Tension: 43.4 dyne/cm; (17)Density: 1.097 g/cm3; (18)Flash Point: 166.2 °C; (19)Enthalpy of Vaporization: 63.34 kJ/mol; (20)Boiling Point: 305.7 °C at 760 mmHg; (21)Vapour Pressure: 7.58E-05 mmHg at 25°C.
Uses of 1,4-Piperazinediethanol: it can be used to get 1,4-bis-(2-chloro-ethyl)-piperazine; dihydrochloride. This reaction will need reagent SOCl2 and solvents dimethylformamide and CHCl3. The reaction time is 6.5 hours by heating. The yield is about 88%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCN1CCN(CC1)CCO
(2)Std. InChI: InChI=1S/C8H18N2O2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h11-12H,1-8H2
(3)Std. InChIKey: VARKIGWTYBUWNT-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | > 10mL/kg (10mL/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
rat | LD50 | oral | 3730uL/kg (3.73mL/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. |