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CAS No.: | 13349-82-1 |
---|---|
Name: | 1-Hydroxyethylethoxypiperazine |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C8H18N2O2 |
Molecular Weight: | 174.243 |
Synonyms: | 1-[2-(2-Hydroxyethoxy)ethyl]piperazine;1-[2-[(2-Hydroxyethyl)oxy]ethyl]piperazine;2-[2-(1-Piperazinyl)ethoxy]ethanol;N-Hydroxyethoxyethylpiperazine;3-(Piperazin-1-yloxy)butan-2-ol;1-(2-(2-Hydroxyethoxy)Ethyl)Piperazine); |
EINECS: | 1533716-785-6 |
Density: | 1.077 g/cm3 |
Boiling Point: | 267.139 °C at 760 mmHg |
Flash Point: | 115.362 °C |
Appearance: | yellow-brown oil |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 44.73000 |
LogP: | -0.83280 |
Conditions | Yield |
---|---|
With piperazine dihydrochloride In ethanol for 10h; Reflux; Large scale; | 95.1% |
at 120 - 140℃; for 1h; | 70% |
tert-butyl 4-(2-(2-hydroxyethoxy)ethyl)piperazine-1-carboxylate
1-[2-(2-hydroxyethoxy)ethyl]piperazine
Conditions | Yield |
---|---|
With trifluoroacetic acid In dichloromethane at 20℃; for 2h; | 95% |
With trifluoroacetic acid In dichloromethane at 20℃; for 1h; | 80% |
1-[2-(2-hydroxyethoxy)ethyl]piperazine
Conditions | Yield |
---|---|
With dipotassium peroxodisulfate at 30 - 60℃; for 6h; Reagent/catalyst; | 80.5% |
4-ethoxycarbonylpiperazine
2-(2-Chloroethoxy)ethanol
1-[2-(2-hydroxyethoxy)ethyl]piperazine
Conditions | Yield |
---|---|
With potassium hydroxide; ethanol |
Quetiapine
A
1-[2-(2-hydroxyethoxy)ethyl]piperazine
C
2-[2-(1-oxidopiperazin-1-yl)ethoxy]ethanol
D
dibenzo[b,f]-1,4-thiazepine
Conditions | Yield |
---|---|
In methanol at 25℃; for 6h; Kinetics; UV-irradiation; |
2,2'-iminobis[ethanol]
2-(2-Aminoethoxy)ethanol
1-[2-(2-hydroxyethoxy)ethyl]piperazine
Conditions | Yield |
---|---|
With hydrogen at 180℃; under 150015 Torr; for 15h; | |
With hydrogen at 180℃; under 750.075 - 150015 Torr; Time; | |
With hydrogen at 180℃; under 150015 Torr; for 15h; |
1-[2-(2-hydroxyethoxy)ethyl]piperazine
(2′Z-3′E)-6-bromoindirubin-3′-[O-(2-bromoethyl)oxime]
(2'Z-3'E)-6-bromoindirubin-3'-[O-(2-{4-[2-(2-hydroxyethoxy)-ethyl]piperazin-1-yl}ethyl)oxime]
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 50℃; | 100% |
1-[2-(2-hydroxyethoxy)ethyl]piperazine
acrylonitrile
3-{4-[2-(2-hydroxy-ethoxy)ethyl]-piperazin-1-yl}-propionitrile
Conditions | Yield |
---|---|
at 20℃; for 72h; Michael addition; | 100% |
1-[2-(2-hydroxyethoxy)ethyl]piperazine
11-chloro-dibenzo[b,f][1,4]thiazepine
Quetiapine
Conditions | Yield |
---|---|
In toluene at 105 - 107℃; | 99% |
In toluene at 110 - 120℃; for 8h; Product distribution / selectivity; | 98% |
In toluene Reflux; | 92% |
1-[2-(2-hydroxyethoxy)ethyl]piperazine
(S)-N-[(3-bromo-propyl)(oxido)phenyl-λ4-sulfanylidene]-5-({3-[(3-methyl-2-furoyl)amino]phenyl}ethynyl)nicotinamide
(S)-N-[(3-{4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}propyl)(oxido)phenyl-λ4-sulfanylidene]-5-({3-[(3-methyl-2-furoyl)amino]phenyl}ethynyl)nicotinamide
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 80℃; for 0.5h; | 96% |
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1-Hydroxyethylethoxypiperazine, with the CAS number of 13349-82-1, can be called 2-butanol, 3-(1-piperazinyloxy)-; 3-(Piperazin-1-yloxy)butan-2-ol. It belongs to the categories of Piperidine; Piperidines, Piperidones, Piperazines; Piperazine derivates; API intermediates; (intermediate of quadipine); (intermediate of quetiapine fumarate); Miscellaneous Reagents; Intermediates of Quetiapine. It is a yellow-brown oil,can be used as quetiapine intermediate.
Physical properties about 1-Hydroxyethylethoxypiperazine are: (1)ACD/LogP: 0.183; (2)ACD/LogD (pH 5.5): -2.62; (3)ACD/LogD (pH 7.4): -1.04; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.79; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.503; (12)Molar Refractivity: 47.804 cm3; (13)Molar Volume: 161.842 cm3; (14)Polarizability: 18.951 10-24cm3; (15)Surface Tension: 40.6640014648438 dyne/cm; (16)Density: 1.077 g/cm3; (17)Flash Point: 115.362 °C; (18)Enthalpy of Vaporization: 58.658 kJ/mol; (19)Boiling Point: 267.139 °C at 760 mmHg; (20)Vapour Pressure: 0.00100000004749745 mmHg at 25°C
When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable gloves and eye/face protection;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C8H18N2O2/c11-6-8-12-7-5-10-3-1-9-2-4-10/h9,11H,1-8H2;
(2)InChIKey=FLNQAPQQAZVRDA-UHFFFAOYSA-N;
(3)SmilesN1(CCOCCO)CCNCC1