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Name |
1-Piperazineethanol,4-[(4-chlorophenyl)phenylmethyl]- |
EINECS | N/A |
CAS No. | 109806-71-5 | Density | 1.191 g/cm3 |
PSA | 26.71000 | LogP | 4.51910 |
Solubility | N/A | Melting Point |
N/A |
Formula | C19H23ClN2O | Boiling Point | 461.1 °C at 760 mmHg |
Molecular Weight | 330.857 | Flash Point | 232.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Piperazineethanol,4-(p-chloro-a-phenylbenzyl)-(6CI);2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethanol;2-{4-[(4-Chlorophenyl)phenylmethyl]piperazinyl}ethan-1-ol; |
Article Data | 8 |
2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol
Conditions | Yield |
---|---|
With sodium carbonate In water; toluene at 25℃; Heating / reflux; | 95% |
With sodium hydroxide In water; toluene at 55 - 60℃; | |
With water In toluene |
1-(2-hydroxyethyl)piperazine
1-chloro-4-(chloro(phenyl)methyl)benzene
2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol
Conditions | Yield |
---|---|
at 130℃; |
N-(4-chlorobenzhydryl)piperazine
2-bromoethanol
2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol
Conditions | Yield |
---|---|
With TEA In toluene Alkylation; |
N-(4-chlorobenzhydryl)piperazine
2-chloro-ethanol
2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol
Conditions | Yield |
---|---|
With triethylamine In toluene Heating / reflux; | |
With triethylamine at 110℃; |
(4-chlorophenyl)phenylmethanol
2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: thionyl chloride / toluene / 1 h / 85 - 90 °C / Large scale reaction 2.1: toluene / 3 h / 80 °C / Large scale reaction 2.2: pH 1 / Large scale reaction 3.1: water / toluene View Scheme |
1-chloro-4-(chloro(phenyl)methyl)benzene
2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: toluene / 3 h / 80 °C / Large scale reaction 1.2: pH 1 / Large scale reaction 2.1: water / toluene View Scheme |
2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol
Conditions | Yield |
---|---|
With sodium carbonate In water; toluene at 25℃; Heating / reflux; | 95% |
With sodium hydroxide In water; toluene at 55 - 60℃; | |
With water In toluene |
1-(2-hydroxyethyl)piperazine
1-chloro-4-(chloro(phenyl)methyl)benzene
2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol
Conditions | Yield |
---|---|
at 130℃; |
N-(4-chlorobenzhydryl)piperazine
2-bromoethanol
2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol
Conditions | Yield |
---|---|
With TEA In toluene Alkylation; |
N-(4-chlorobenzhydryl)piperazine
2-chloro-ethanol
2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol
Conditions | Yield |
---|---|
With triethylamine In toluene Heating / reflux; | |
With triethylamine at 110℃; |
The 1-Piperazineethanol,4-[(4-chlorophenyl)phenylmethyl]-, with the CAS registry number 109806-71-5, is also known as 2-{4-[(4-chlorophenyl)phenylmethyl]piperazinyl}ethan-1-ol. This chemical's molecular formula is C19H23ClN2O and molecular weight is 330.85. What's more, its systematic name is 2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethanol.
Physical properties of 1-Piperazineethanol,4-[(4-chlorophenyl)phenylmethyl]- are: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 15.71 Å2; (7)Index of Refraction: 1.599; (8)Molar Refractivity: 94.9 cm3; (9)Molar Volume: 277.7 cm3; (10)Surface Tension: 48.5 dyne/cm; (11)Density: 1.191 g/cm3; (12)Flash Point: 232.7 °C; (13)Enthalpy of Vaporization: 76.07 kJ/mol; (14)Boiling Point: 461.1 °C at 760 mmHg; (15)Vapour Pressure: 2.67E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CCO
(2)InChI: InChI=1S/C19H23ClN2O/c20-18-8-6-17(7-9-18)19(16-4-2-1-3-5-16)22-12-10-21(11-13-22)14-15-23/h1-9,19,23H,10-15H2
(3)InChIKey: ZJQSBXXYLQGZBR-UHFFFAOYSA-N