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CAS No.: | 303-26-4 |
---|---|
Name: | 1-(4-Chlorobenzhydryl)piperazine |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C17H19ClN2 |
Molecular Weight: | 286.804 |
Synonyms: | Piperazine,1-(p-chloro-a-phenylbenzyl)-(6CI,7CI,8CI);1-(4-Chloro-a-phenylbenzyl)piperazine;N-(4-Chlorophenyl)phenylmethylpiperazine;NSC 86164;Piperazine,1-[(4-chlorophenyl)phenylmethyl]-;1-[(4-Chlorophenyl) phenylmethyl] piperazine; |
EINECS: | 206-137-4 |
Density: | 1.158 g/cm3 |
Melting Point: | 65-70 °C(lit.) |
Boiling Point: | 409.1 °C at 760 mmHg ) |
Flash Point: | 193.3 °C |
Solubility: | 144.6mg/L at 25℃ |
Appearance: | white solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39-24/25 |
PSA: | 15.27000 |
LogP: | 3.60130 |
Conditions | Yield |
---|---|
With sodium hydroxide; sodium chloride; hydrogen bromide In hexane; water; acetic acid; toluene | 84.8% |
piperazine
1-chloro-4-(chloro(phenyl)methyl)benzene
N-(4-chlorobenzhydryl)piperazine
Conditions | Yield |
---|---|
With K2CO3; Ki In dichloromethane; butanone | 57% |
With Ki; potassium carbonate In dichloromethane; butanone | 57% |
With Ki; potassium carbonate In dichloromethane; butanone | 57% |
piperazine-1-carbaldehyde
1-chloro-4-(chloro(phenyl)methyl)benzene
N-(4-chlorobenzhydryl)piperazine
Conditions | Yield |
---|---|
With hydrogenchloride | |
With sodium hydroxide |
N-(4-chlorobenzhydryl)piperazine
Conditions | Yield |
---|---|
With ethanol; nickel at 150℃; under 73550.8 Torr; Hydrogenation; |
N-(4-chlorobenzhydryl)piperazine
Conditions | Yield |
---|---|
With potassium hydroxide | |
With hydrogenchloride |
(R)-(+)-4-(4-chlorophenyl)-phenylmethyl-piperazine-1-carboxylic acid-2,2,2-trichloroethylester hydrochloride
N-(4-chlorobenzhydryl)piperazine
Conditions | Yield |
---|---|
With hydrogenchloride; zinc In tetrahydrofuran; methanol at 5 - 20℃; for 1h; | |
With acetic acid; zinc In methanol; toluene at 41 - 45℃; for 1.41667h; |
C20H20Cl4N2O2
N-(4-chlorobenzhydryl)piperazine
Conditions | Yield |
---|---|
With acetic acid; zinc In methanol for 1h; |
ethyl {4-[(4-chlorophenyl)phenylmethyl]piperazin-1-yl}carboxylate
N-(4-chlorobenzhydryl)piperazine
Conditions | Yield |
---|---|
With potassium hydroxide In methanol for 24h; Heating; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: SOCl2 / CH2Cl2 / 1 h / 0 °C 2: acetonitrile / Heating View Scheme | |
Multi-step reaction with 2 steps 1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C 2: acetonitrile / Reflux View Scheme | |
Multi-step reaction with 2 steps 1: hydrogenchloride; calcium chloride / water / 4 h / 20 °C / Reflux 2: tetra-(n-butyl)ammonium iodide; potassium carbonate / tetrahydrofuran / 8 h / Reflux View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: tetrahydrofuran / 1 h / 20 °C 2: SOCl2 / CH2Cl2 / 1 h / 0 °C 3: acetonitrile / Heating View Scheme |
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The 1-(4-Chlorobenzhydryl)piperazine, with the CAS registry number 303-26-4,is also known as N-(p-Chlorobenzhydryl)piperazine. It belongs to the product categories of Halogenated Heterocycles;Heterocyclic Building Blocks.This chemical's molecular formula is C17H19ClN2 and molecular weight is 286.80.Its EINECS number is 206-137-4. What's more,Its systematic name is N-(4-Chlorobenzhydryl)piperazine.It is a White Solid and store in the Refrigerator.It is a metabolite of Cetirizine and Hydroxyzine.
Physical properties about 1-(4-Chlorobenzhydryl)piperazine are:
(1)ACD/LogP: 3.164; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.22; (4)ACD/LogD (pH 7.4): 1.61; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 4.19; (7)ACD/KOC (pH 5.5): 1.44; (8)ACD/KOC (pH 7.4): 35.11; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 83.824 cm3; (14)Molar Volume: 247.642 cm3; (15)Surface Tension: 44.0519981384277 dyne/cm; (16)Density: 1.158 g/cm3; (17)Flash Point: 193.269 °C; (18)Enthalpy of Vaporization: 66.124 kJ/mol; (19)Boiling Point: 409.11 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:Clc1ccc(cc1)C(c2ccccc2)N3CCNCC3;
(2)Std. InChI:InChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2;
(3)Std. InChIKey:UZKBSZSTDQSMDR-UHFFFAOYSA-N.
Safety Information of 1-(4-Chlorobenzhydryl)piperazine:
The 1-(4-Chlorobenzhydryl)piperazine is Irritating to eyes, respiratory system and skin.When you use ie wear suitable gloves and eye/face protection and avoid contact with skin and eyes.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.