CAS No.109806-71-5,4-[(4-CHLOROPHENYL)PHENYLMETHYL]-1-PIPERAZINEETHANOL DIHYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	109806-71-5
Name:	4-[(4-CHLOROPHENYL)PHENYLMETHYL]-1-PIPERAZINEETHANOL DIHYDROCHLORIDE
Article Data:	8

Formula:	C₁₉H₂₃ClN₂O
Molecular Weight:	330.857
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;
Density:	1.191 g/cm³
Boiling Point:	461.1 °C at 760 mmHg
Flash Point:	232.7 °C
PSA:	26.71000
LogP:	4.51910

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

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

: 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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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

: 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

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 dihydrochloride

: 109806-71-5
2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol

Conditions

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

: 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

Conditions	Yield
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

Conditions	Yield
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

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

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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