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1-Piperazineethanol,4-[(4-chlorophenyl)phenylmethyl]-

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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 Molecular Structure of 109806-71-5 (4-[(4-CHLOROPHENYL)PHENYLMETHYL]-1-PIPERAZINEETHANOL DIHYDROCHLORIDE) 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

1-Piperazineethanol,4-[(4-chlorophenyl)phenylmethyl]- Synthetic route

2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol dihydrochloride

109806-71-5

2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol

Conditions
ConditionsYield
With sodium carbonate In water; toluene at 25℃; Heating / reflux;95%
With sodium hydroxide In water; toluene at 55 - 60℃;
With water In toluene
103-76-4

1-(2-hydroxyethyl)piperazine

134-83-8

1-chloro-4-(chloro(phenyl)methyl)benzene

109806-71-5

2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol

Conditions
ConditionsYield
at 130℃;
303-26-4

N-(4-chlorobenzhydryl)piperazine

540-51-2

2-bromoethanol

109806-71-5

2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol

Conditions
ConditionsYield
With TEA In toluene Alkylation;
303-26-4

N-(4-chlorobenzhydryl)piperazine

107-07-3

2-chloro-ethanol

109806-71-5

2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol

Conditions
ConditionsYield
With triethylamine In toluene Heating / reflux;
With triethylamine at 110℃;
119-56-2

(4-chlorophenyl)phenylmethanol

109806-71-5

2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol

Conditions
ConditionsYield
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
134-83-8

1-chloro-4-(chloro(phenyl)methyl)benzene

109806-71-5

2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol

Conditions
ConditionsYield
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 dihydrochloride

109806-71-5

2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol

Conditions
ConditionsYield
With sodium carbonate In water; toluene at 25℃; Heating / reflux;95%
With sodium hydroxide In water; toluene at 55 - 60℃;
With water In toluene
103-76-4

1-(2-hydroxyethyl)piperazine

134-83-8

1-chloro-4-(chloro(phenyl)methyl)benzene

109806-71-5

2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol

Conditions
ConditionsYield
at 130℃;
303-26-4

N-(4-chlorobenzhydryl)piperazine

540-51-2

2-bromoethanol

109806-71-5

2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol

Conditions
ConditionsYield
With TEA In toluene Alkylation;
303-26-4

N-(4-chlorobenzhydryl)piperazine

107-07-3

2-chloro-ethanol

109806-71-5

2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol

Conditions
ConditionsYield
With triethylamine In toluene Heating / reflux;
With triethylamine at 110℃;

1-Piperazineethanol,4-[(4-chlorophenyl)phenylmethyl]- Specification

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

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