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 |
N-(4-chlorobenzhydryl)piperazine
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 |
N-(4-chlorobenzhydryl)piperazine
Conditions | Yield |
---|---|
In water; N-ethyl-N,N-diisopropylamine |
C24H23ClN2O2
N-(4-chlorobenzhydryl)piperazine
Conditions | Yield |
---|---|
With sodium hydroxide; water In isopropyl alcohol at 90℃; for 2 - 3h; Product distribution / selectivity; Heating / reflux; |
4-[(4-chloro-phenyl)-phenyl-methyl]-piperazine-1-carboxylic acid 4-nitro-phenyl ester
N-(4-chlorobenzhydryl)piperazine
Conditions | Yield |
---|---|
With sodium hydroxide; water In isopropyl alcohol at 90℃; for 48h; Product distribution / selectivity; |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: sodium tetrahydroborate / tetrahydrofuran; methanol / 0.5 h / 0 °C 2: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C 3: acetonitrile / Reflux View Scheme | |
Multi-step reaction with 3 steps 1: sodium tetrahydroborate / methanol / 1.25 h / 0 - 20 °C 2: hydrogenchloride; calcium chloride / water / 4 h / 20 °C / Reflux 3: tetra-(n-butyl)ammonium iodide; potassium carbonate / tetrahydrofuran / 8 h / Reflux View Scheme | |
Multi-step reaction with 3 steps 1.1: sodium tetrahydroborate / ethanol / 0.5 h 1.2: Cooling with ice 2.1: hydrogenchloride; calcium chloride / water / 4 h / 85 °C 3.1: potassium carbonate / N,N-dimethyl-formamide / 0.17 h 3.2: 8 h / 80 °C View Scheme | |
Multi-step reaction with 3 steps 1: sodium tetrahydroborate / methanol / 20 °C 2: tetrabutylammomium bromide; hydrogenchloride / water; toluene / 40 - 45 °C 3: toluene / 60 - 100 °C View Scheme | |
Multi-step reaction with 3 steps 1: sodium tetrahydroborate / methanol 2: thionyl chloride / dichloromethane / 20 °C 3: N,N-dimethyl-formamide / 80 °C View Scheme |
piperazine
1-chloro-4-(chloro(phenyl)methyl)benzene
A
N-(4-chlorobenzhydryl)piperazine
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile at 85℃; Sealed tube; | A n/a B 7.6 %Chromat. |
(3-bromo-3-methyl-n-butyl)benzene
N-(4-chlorobenzhydryl)piperazine
buta-1,3-diene
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0); potassium acetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In tetrahydrofuran; N,N-dimethyl acetamide at 20℃; for 48h; Heck Reaction; Schlenk technique; Irradiation; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With copper(l) iodide In 1,4-dioxane at 120℃; for 1h; | 99% |
Conditions | Yield |
---|---|
With 4-methyl-morpholine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; | 98% |
7-chloro-1-(2,4-difluorophenyl)-1,4-dihydro-8-methyl-6-nitro-4-oxoquinolone-3-carboxylic acid
N-(4-chlorobenzhydryl)piperazine
7-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-1-(2,4-difluorophenyl)-1,4-dihydro-8-methyl-6-nitro-4-oxoquinoline-3-carboxylic acid
Conditions | Yield |
---|---|
With potassium carbonate In dimethyl sulfoxide Microwave irradiation; | 96% |
N-(4-chlorobenzhydryl)piperazine
Conditions | Yield |
---|---|
Stage #1: N-(4-chlorobenzhydryl)piperazine; 5-(ethoxymethylene)thiazolidine-2,4-dione With triethylamine In acetonitrile Stage #2: at 45℃; | 96% |
N-(3-Hydroxypropyl)-5-chloropentanesulfonamide
chloroform methanol
N-(4-chlorobenzhydryl)piperazine
Conditions | Yield |
---|---|
In water; N-ethyl-N,N-diisopropylamine | 95.1% |
2-(2-chloroethoxy)acetamide
N-(4-chlorobenzhydryl)piperazine
2-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetamide
Conditions | Yield |
---|---|
Stage #1: N-(4-chlorobenzhydryl)piperazine With tetrabutylammomium bromide; potassium carbonate In water at 25℃; Stage #2: 2-(2-chloroethoxy)acetamide In water at 80℃; | 95% |
With potassium iodide; sodium chloride; sodium carbonate; sodium sulfate In di-isopropyl ether; water; toluene | 79.6% |
N-(4-chlorobenzhydryl)piperazine
N-((tert-butyloxy)carbonyl)-N'-(1-(methyl)-3-(phenyl)propyl)iminodiacetic acid monoamide
(2-{4-[(4-chloro-phenyl)-phenyl-methyl]-piperazin-1-yl}-2-oxo-ethyl)-[(1-methyl-3-phenyl-propylcarbamoyl)-methyl]-carbamic acid tert-butyl ester
Conditions | Yield |
---|---|
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 16h; | 94% |
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 16h; |
chloroform methanol
N,N-diethyl-6-chlorohexanesulfonamide
N-(4-chlorobenzhydryl)piperazine
Conditions | Yield |
---|---|
In water; N-ethyl-N,N-diisopropylamine | 94% |
N-(4-chlorobenzhydryl)piperazine
chloroacetyl chloride
2-chloro-1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethanone
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; Inert atmosphere; | 94% |
With triethylamine In dichloromethane at 0 - 20℃; for 7h; | 45% |
N-(4-chlorobenzhydryl)piperazine
rosuvastatin
(E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-pyrimidin-5-yl}-(3R,5S)-3,5-dihydroxy-hept-6-enoic acid 1-[(4-chlorophenyl)-phenyl-methyl]piperazinium salt
Conditions | Yield |
---|---|
In Isopropyl acetate at 20 - 60℃; for 4.5h; Product distribution / selectivity; | 93% |
N,N-dimethyl-6-chlorohexanesulfonamide
chloroform methanol
N-(4-chlorobenzhydryl)piperazine
Conditions | Yield |
---|---|
In water; N-ethyl-N,N-diisopropylamine | 92.1% |
N-(4-chlorobenzhydryl)piperazine
7-chloro-6-(difluoromethoxy)-1,4-dihydro-1-ethyl4-oxo-3-quinolinecarboxylic acid
Conditions | Yield |
---|---|
at 130 - 140℃; for 3h; | 92% |
N-(4-chlorobenzhydryl)piperazine
N-((tert-butyloxy)carbonyl)-N'-(2-(4-(4-bromophenyl)thiazole))iminodiacetic acid monoamide
{[4-(4-bromo-phenyl)-thiazol-2-ylcarbamoyl]-methyl}-(2-{4-[(4-chloro-phenyl)-phenyl-methyl]-piperazin-1-yl}-2-oxo-ethyl)-carbamic acid tert-butyl ester
Conditions | Yield |
---|---|
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 16h; | 92% |
ethyl 3-(o-trifluoroacetamidophenyl)-1-propargyl carbonate
N-(4-chlorobenzhydryl)piperazine
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 80℃; for 8h; | 92% |
With tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 80℃; for 8h; Inert atmosphere; | 92% |
N-(2-Hydroxyethyl)-6-chlorohexanesulfonamide
chloroform methanol
N-(4-chlorobenzhydryl)piperazine
Conditions | Yield |
---|---|
In water; N-ethyl-N,N-diisopropylamine | 91.5% |
N-(2-Hydroxyethyl)-5-chloropentanesulfonamide
chloroform methanol
N-(4-chlorobenzhydryl)piperazine
Conditions | Yield |
---|---|
In water; N-ethyl-N,N-diisopropylamine | 91.4% |
Conditions | Yield |
---|---|
In water; N-ethyl-N,N-diisopropylamine | 91.4% |
N-(4-chlorobenzhydryl)piperazine
Conditions | Yield |
---|---|
With triethylamine | 90.8% |
With triethylamine | 90.8% |
With triethylamine In (2-chloro-ethoxy)-acetic acid ethyl ester | 89.4% |
With triethylamine In (2-chloro-ethoxy)-acetic acid ethyl ester | 89.4% |
Conditions | Yield |
---|---|
With dmap; triethylamine In 1,2-dichloro-ethane at 20℃; | 90% |
7-chloro-1-cyclopropyl-1,4-dihydro-8-methyl-6-nitro-4-oxoquinolone-3-carboxylic acid
N-(4-chlorobenzhydryl)piperazine
7-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-1-cyclopropyl-1,4-dihydro-8-methyl-6-nitro-4-oxoquinoline-3-carboxylic acid
Conditions | Yield |
---|---|
With potassium carbonate In dimethyl sulfoxide Microwave irradiation; | 90% |
1-tert-butyl-7-chloro-1-1,4-dihydro-8-methyl-6-nitro-4-oxoquinolone-3-carboxylic acid
N-(4-chlorobenzhydryl)piperazine
1-tert-butyl-7-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-1,4-dihydro-8-methyl-6-nitro-4-oxoquinoline-3-carboxylic acid
Conditions | Yield |
---|---|
With potassium carbonate In dimethyl sulfoxide Microwave irradiation; | 90% |
N-(4-chlorobenzhydryl)piperazine
2-([(tert-butoxy)carbonyl]{2-[(4-methoxybenzyl)amino]-2-oxoethyl}amino)acetic acid
N-((t-butyloxy)carbonyl)-N'-(4-methoxybenzyl)-N"-1-(4-chlorobenzhydryl)piperazine iminodiacetic acid diamide
Conditions | Yield |
---|---|
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 16h; | 89% |
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 16h; | 89% |
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 16h; |
(Z)-3-(4-phenylbutan-2-ylcarbamoyl)acrylic acid
N-(4-chlorobenzhydryl)piperazine
Conditions | Yield |
---|---|
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 16h; | 89% |
(2-Chloro-ethoxy)-acetic acid methyl ester
N-(4-chlorobenzhydryl)piperazine
methyl 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-acetate
Conditions | Yield |
---|---|
With triethylamine | 88.7% |
With triethylamine | 88.7% |
With potassium iodide; sodium carbonate In methanol; dichloromethane; toluene | 67.5% |
With potassium iodide; sodium carbonate In methanol; dichloromethane; toluene | 55.1% |
carbon disulfide
4-bromo-2,2-diphenylbutyronitrile
N-(4-chlorobenzhydryl)piperazine
Conditions | Yield |
---|---|
Stage #1: carbon disulfide; N-(4-chlorobenzhydryl)piperazine With potassium phosphate In acetone at 20℃; for 0.5h; Stage #2: 4-bromo-2,2-diphenylbutyronitrile In acetone at 20℃; | 88% |
di-tert-butyl dicarbonate
N-(4-chlorobenzhydryl)piperazine
1-[(4-chlorophenyl)phenylmethyl]-4-(tert-butoxycarbonyl)-piperazine
Conditions | Yield |
---|---|
Stage #1: di-tert-butyl dicarbonate; N-(4-chlorobenzhydryl)piperazine With sodium hydroxide In water; toluene at 35℃; for 5h; Stage #2: In n-heptane at 0 - 64℃; for 8.5h; | 87.9% |
C17H21FN2O5
N-(4-chlorobenzhydryl)piperazine
tert-butyl (S)-4-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-1-(5-fluoroisoindolin-2-yl)-1,4-dioxobutan-2-ylcarbamate
Conditions | Yield |
---|---|
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine In dichloromethane | 87% |
N-(4-chlorobenzhydryl)piperazine
N-((tert-butyloxy)carbonyl)-N'-(4-methylbenzyl) iminodiacetic acid monoamide
(2-{4-[(4-chloro-phenyl)-phenyl-methyl]-piperazin-1-yl}-2-oxo-ethyl)-[(4-methyl-benzylcarbamoyl)-methyl]-carbamic acid tert-butyl ester
Conditions | Yield |
---|---|
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 16h; | 86% |
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 16h; |
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.
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