alpha,alpha-Diphenyl-4-piperidinomethanol supplier

Name
alpha,alpha-Diphenyl-4-piperidinomethanol
EINECS 204-092-5
CAS No. 115-46-8
Article Data15
CAS DataBase
Density 1.103 g/cm³
Solubility
Melting Point 160-163 °C
Formula C₁₈H₂₁NO
Boiling Point 445.5 °C at 760 mmHg
Molecular Weight 267.371
Flash Point 142 °C
Transport Information
Appearance white to light beige crystalline powder
Safety 24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(Diphenylhydroxymethyl)piperidine;4-(Hydroxydiphenylmethyl)piperidine;Ataractan;Azacyclonol;Calmeran;Diphenyl-4-piperidylmethanol;Frenoton;MDL 4829;MER 17;Psychosan;a-(4-Piperidyl)benzhydrol;g-Pipradol;
PSA 32.26000
LogP 3.25090

Synthetic route

: 114399-88-1
α,α-diphenyl-1-(phenylmethyl)-4-piperidinemethanol

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethanol at 70℃; under 2585.7 Torr;	99%
palladium In ethanol

: 58113-28-3
N-acetyl-α,α-diphenyl-4-piperidinemethanol

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
With hydrogenchloride In ethanol; water at 65 - 97℃; for 12h;	95%

: (1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)diphenylmethanol

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
With hydrogen; palladium(II) hydroxide In methanol at 10 - 20℃; under 258.581 Torr; for 5h; Reagent/catalyst; Autoclave;	95%

: 96067-93-5
benzyl 4-(hydroxydiphenylmethyl)-piperidine-1-carboxylate

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
With hydrogen; acetic acid; palladium on activated charcoal In ethanol at 25℃; under 3102.89 Torr; for 2.5h; Hydrogenolysis;	88%

: 112818-77-6
ethyl 4-(hydroxydiphenylmethyl)piperidine-1-carboxylate

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
With potassium hydroxide In ethanol for 24h; Heating;	75%
In ethanol for 24h; Reflux; Inert atmosphere; Alkaline conditions;	75%

: 1620-30-0
diphenyl(pyridin-4-yl)methanol

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
With acetic acid; platinum Hydrogenation;
Multi-step reaction with 5 steps 1: acetone / 20 °C 2: sodium tetrahydroborate / methanol / 4 h / 20 °C 3: cyclohexanol / 2 h / Reflux 4: potassium carbonate / chloroform / 20 °C 5: ethanol / 24 h / Reflux; Inert atmosphere; Alkaline conditions View Scheme
Multi-step reaction with 3 steps 1: acetonitrile / Reflux 2: potassium borohydride / methanol / 3 h / 10 - 20 °C 3: hydrogen; palladium(II) hydroxide / methanol / 5 h / 10 - 20 °C / 258.58 Torr / Autoclave View Scheme
Multi-step reaction with 3 steps 1: acetonitrile / Reflux 2: lithium borohydride / methanol / 3 h / 10 - 20 °C 3: hydrogen; palladium(II) hydroxide / methanol / 5 h / 10 - 20 °C / 258.58 Torr / Autoclave View Scheme

: 1126-09-6
4-carbethoxypiperidine

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 99 percent / triethylamine / tetrahydrofuran; H2O / 2 h / 25 °C 2: 73 percent / tetrahydrofuran / 0.83 h / -20 - 20 °C 3: 88 percent / acetic acid; hydrogen / Pd/C / ethanol / 2.5 h / 25 °C / 3102.89 Torr View Scheme

: 160809-38-1
1-benzyl 4-ethyl piperidine-1,4-dicarboxylate

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 73 percent / tetrahydrofuran / 0.83 h / -20 - 20 °C 2: 88 percent / acetic acid; hydrogen / Pd/C / ethanol / 2.5 h / 25 °C / 3102.89 Torr View Scheme

: 6071-92-7
VUF 4589

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 70 percent / K2CO3 / CH2Cl2 / Ambient temperature 2: 75 percent / 50percent KOH / ethanol / 24 h / Heating View Scheme
Multi-step reaction with 2 steps 1: potassium carbonate / chloroform / 20 °C 2: ethanol / 24 h / Reflux; Inert atmosphere; Alkaline conditions View Scheme

: 20735-04-0
(1,2,3,6-tetrahydro-1-methylpyridin-4-yl)diphenylmethanol

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 85 percent / Ra-Ni / various solvent(s) / 2 h / Heating 2: 70 percent / K2CO3 / CH2Cl2 / Ambient temperature 3: 75 percent / 50percent KOH / ethanol / 24 h / Heating View Scheme
Multi-step reaction with 3 steps 1: cyclohexanol / 2 h / Reflux 2: potassium carbonate / chloroform / 20 °C 3: ethanol / 24 h / Reflux; Inert atmosphere; Alkaline conditions View Scheme

: 108-86-1
bromobenzene

radioactive bromine: radioactive bromine

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1) Mg / 1) THF, reflux; 2) THF, room temperature, overnight 2: 99 percent / H2 / 5percent Pd/C / ethanol / 70 °C / 2585.7 Torr View Scheme

: 24228-40-8
N-benzyl isonipecotic acid ethyl ester

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1) Mg / 1) THF, reflux; 2) THF, room temperature, overnight 2: 99 percent / H2 / 5percent Pd/C / ethanol / 70 °C / 2585.7 Torr View Scheme

: 114399-88-1
α,α-diphenyl-1-(phenylmethyl)-4-piperidinemethanol

: 108-20-3
di-isopropyl ether

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
palladium-carbon In ethanol
palladium In ethanol

: 113012-26-3
4-(hydroxy-diphenyl-methyl)-1-methyl-pyridinium iodide

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: sodium tetrahydroborate / methanol / 4 h / 20 °C 2: cyclohexanol / 2 h / Reflux 3: potassium carbonate / chloroform / 20 °C 4: ethanol / 24 h / Reflux; Inert atmosphere; Alkaline conditions View Scheme

: 14548-46-0
4-Benzoylpyridine

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: tetrahydrofuran / 20 °C / Inert atmosphere 2: acetone / 20 °C 3: sodium tetrahydroborate / methanol / 4 h / 20 °C 4: cyclohexanol / 2 h / Reflux 5: potassium carbonate / chloroform / 20 °C 6: ethanol / 24 h / Reflux; Inert atmosphere; Alkaline conditions View Scheme

: 100-58-3
phenylmagnesium bromide

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: tetrahydrofuran / 20 °C / Inert atmosphere 2: acetone / 20 °C 3: sodium tetrahydroborate / methanol / 4 h / 20 °C 4: cyclohexanol / 2 h / Reflux 5: potassium carbonate / chloroform / 20 °C 6: ethanol / 24 h / Reflux; Inert atmosphere; Alkaline conditions View Scheme

: 498-94-2
isonipecotic acid

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: 4 h / Reflux 2.1: thionyl chloride / toluene / 6 h / 40 °C 3.1: aluminum (III) chloride / 10 h / 70 °C 4.1: magnesium; iodine / tetrahydrofuran / Inert atmosphere; Reflux 4.2: 10 - 30 °C / Inert atmosphere 5.1: hydrogenchloride / water; ethanol / 12 h / 65 - 97 °C View Scheme
Multi-step reaction with 5 steps 1.1: 4 h / Reflux 2.1: thionyl chloride / toluene / 6 h / 40 °C 3.1: aluminum (III) chloride / 10 h / 70 °C 4.1: magnesium; iodine / tetrahydrofuran / Inert atmosphere; Reflux 4.2: 10 - 30 °C / Inert atmosphere 5.1: hydrogenchloride / water; ethanol / 12 h / 65 - 97 °C View Scheme
Multi-step reaction with 5 steps 1.1: 6 h / Reflux 2.1: thionyl chloride / toluene / 6 h / 40 °C 3.1: aluminum (III) chloride / 10 h / 70 °C 4.1: magnesium; iodine / tetrahydrofuran / Inert atmosphere; Reflux 4.2: 10 - 30 °C / Inert atmosphere 5.1: hydrogenchloride / water; ethanol / 12 h / 65 - 97 °C View Scheme
Multi-step reaction with 5 steps 1.1: 6 h / Reflux 2.1: thionyl chloride / toluene / 6 h / 40 °C 3.1: aluminum (III) chloride / 10 h / 70 °C 4.1: magnesium; iodine / tetrahydrofuran / Inert atmosphere; Reflux 4.2: 10 - 30 °C / Inert atmosphere 5.1: hydrogenchloride / water; ethanol / 12 h / 65 - 97 °C View Scheme

: 25503-90-6
1-acetyl-piperidine-4-carboxylic acid

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: thionyl chloride / toluene / 6 h / 40 °C 2.1: aluminum (III) chloride / 10 h / 70 °C 3.1: magnesium; iodine / tetrahydrofuran / Inert atmosphere; Reflux 3.2: 10 - 30 °C / Inert atmosphere 4.1: hydrogenchloride / water; ethanol / 12 h / 65 - 97 °C View Scheme
Multi-step reaction with 4 steps 1.1: thionyl chloride / toluene / 6 h / 40 °C 2.1: aluminum (III) chloride / 10 h / 70 °C 3.1: magnesium; iodine / tetrahydrofuran / Inert atmosphere; Reflux 3.2: 10 - 30 °C / Inert atmosphere 4.1: hydrogenchloride / water; ethanol / 12 h / 65 - 97 °C View Scheme

: 25519-79-3
1-(4-benzoylpiperidin-1-yl)ethanone

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: magnesium; iodine / tetrahydrofuran / Inert atmosphere; Reflux 1.2: 10 - 30 °C / Inert atmosphere 2.1: hydrogenchloride / water; ethanol / 12 h / 65 - 97 °C View Scheme

: 59084-16-1
1-acetylpiperidine-4-carbonyl chloride

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: aluminum (III) chloride / 10 h / 70 °C 2.1: magnesium; iodine / tetrahydrofuran / Inert atmosphere; Reflux 2.2: 10 - 30 °C / Inert atmosphere 3.1: hydrogenchloride / water; ethanol / 12 h / 65 - 97 °C View Scheme
Multi-step reaction with 3 steps 1.1: aluminum (III) chloride / 10 h / 70 °C 2.1: magnesium; iodine / tetrahydrofuran / Inert atmosphere; Reflux 2.2: 10 - 30 °C / Inert atmosphere 3.1: hydrogenchloride / water; ethanol / 12 h / 65 - 97 °C View Scheme

: 498-94-2
isonipecotic acid

: 108-86-1
bromobenzene

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
Stage #1: bromobenzene With magnesium In tetrahydrofuran Reflux; Stage #2: isonipecotic acid In tetrahydrofuran; toluene at 50 - 120℃; under 304.02 - 1140.08 Torr; for 11h; Inert atmosphere;	415 g

: 100-48-1
pyridine-4-carbonitrile

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: lithium / 5,5-dimethyl-1,3-cyclohexadiene / Inert atmosphere; Reflux 2: acetonitrile / Reflux 3: potassium borohydride / methanol / 3 h / 10 - 20 °C 4: hydrogen; palladium(II) hydroxide / methanol / 5 h / 10 - 20 °C / 258.58 Torr / Autoclave View Scheme
Multi-step reaction with 4 steps 1: lithium / 5,5-dimethyl-1,3-cyclohexadiene / Inert atmosphere; Reflux 2: acetonitrile / Reflux 3: lithium borohydride / methanol / 3 h / 10 - 20 °C 4: hydrogen; palladium(II) hydroxide / methanol / 5 h / 10 - 20 °C / 258.58 Torr / Autoclave View Scheme

: 119-61-9
benzophenone

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: lithium / 5,5-dimethyl-1,3-cyclohexadiene / Inert atmosphere; Reflux 2: acetonitrile / Reflux 3: potassium borohydride / methanol / 3 h / 10 - 20 °C 4: hydrogen; palladium(II) hydroxide / methanol / 5 h / 10 - 20 °C / 258.58 Torr / Autoclave View Scheme
Multi-step reaction with 4 steps 1: lithium / 5,5-dimethyl-1,3-cyclohexadiene / Inert atmosphere; Reflux 2: acetonitrile / Reflux 3: lithium borohydride / methanol / 3 h / 10 - 20 °C 4: hydrogen; palladium(II) hydroxide / methanol / 5 h / 10 - 20 °C / 258.58 Torr / Autoclave View Scheme

: N-benzyl-alpha,alpha-diphenyl-4-pyridinemethanol chloride

: 115-46-8
C18H21NO

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium borohydride / methanol / 3 h / 10 - 20 °C 2: hydrogen; palladium(II) hydroxide / methanol / 5 h / 10 - 20 °C / 258.58 Torr / Autoclave View Scheme

: 115-46-8
C18H21NO

: 50706-57-5
4-(diphenylmethylene)piperidine

Conditions

Conditions	Yield
With trifluoroacetic acid In dichloromethane at 20℃;	100%
With trifluoroacetic acid In dichloromethane for 7h; Inert atmosphere;	96%
With trifluoroacetic acid In dichloromethane at 20℃; for 9h;	95%

: 254453-61-7
[4-(4-chloro-1-oxobutyl)phenyl]methyl-propanedioic acid diethyl ester

: 115-46-8
C18H21NO

: [4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]phenyl]methyl-propanedioic acid diethyl ester

Conditions

Conditions	Yield
With potassium carbonate In water; toluene for 168h; Heating / reflux;	99%
With potassium carbonate In water; toluene for 168h; Reflux;	99%

: 115-46-8
C18H21NO

: 4-(hydroxydiphenylmethyl)piperidine-1-sulfamoyl fluoride

Conditions

Conditions	Yield
With [(4-acetamidophenyl)(fluorosulfonyl)amino]sulfonyl fluoride; 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran at 20℃; for 0.166667h; Reagent/catalyst; Solvent;	98%
With [(4-acetamidophenyl)(fluorosulfonyl)amino]sulfonyl fluoride; 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran at 20℃; for 0.166667h;	96%
With dmap; fluorosulfonyl fluoride; magnesium oxide In dichloromethane; water at 20℃;	94%

: 38771-21-0
4-bromobut-1-yne

: 115-46-8
C18H21NO

A: azacyclonol hydrobromide

B: 476468-82-3
C22H25NO

Conditions

Conditions	Yield
In tetrahydrofuran at 68℃; for 20h; Heating / reflux;	A n/a B 96.1%

...Expand

: 72486-09-0
methanesulfonic acid but-3-ynyl ester

: 115-46-8
C18H21NO

A: azacyclonol methanesulfonate

B: 476468-82-3
C22H25NO

Conditions

Conditions	Yield
In tetrahydrofuran at 68℃; for 20h; Heating / reflux;	A n/a B 95.5%

...Expand

: 115-46-8
C18H21NO

: 5332-06-9
4-bromobutanenitrile

: 118419-86-6
1-(3-Cyanopropyl)-4-(hydroxydiphenylmethyl)piperidine

Conditions

Conditions	Yield
With potassium carbonate; sodium iodide In butanone for 5h; Heating;	95%

: 115-46-8
C18H21NO

: 19841-73-7
4-(Diphenylmethyl)piperidine

Conditions

Conditions	Yield
With sodium tetrahydroborate; trifluoroacetic acid at 0℃; for 0.75h;	95%
With sodium tetrahydroborate; trifluoroacetic acid In dichloromethane at 0℃; for 0.833333h;	88%
With sodium tetrahydroborate In trifluoroacetic acid
Multi-step reaction with 2 steps 1: trifluoroacetic acid / dichloromethane / 6 h / 20 °C 2: trimethylsilan / dichloromethane / 72 h / 20 °C View Scheme

: 28547-33-3
1-(4-(tert-butyl)phenyl)-3-chloropropan-1-one

: 115-46-8
C18H21NO

: 1-(4-(tert-butyl)phenyl)-3-(4-(hydroxydiphenylmethyl)piperidin-1-yl)propan-1-one

Conditions

Conditions	Yield
With sodium hydrogencarbonate In water; butanone at 85℃; for 16h;	95%

: 395-44-8
o-trifluoromethylbenzyl bromide

: 115-46-8
C18H21NO

: (1-(2-(trifluoromethyl)benzyl)piperidin-4-yl)diphenylmethanol

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 70℃; for 4h;	95%

: 2417-73-4
methyl 2-bromomethylbenzoate

: 115-46-8
C18H21NO

: methyl 2-((4-(hydroxydiphenylmethyl)piperidin-1-yl)methyl)benzoate

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 70℃; for 4h;	95%

: 50-00-0
formaldehyd

: 115-46-8
C18H21NO

: 6071-92-7
VUF 4589

Conditions

Conditions	Yield
With sodium tetrahydroborate	94%

: 16686-11-6
2-(3-chloropropyl)-1,3-dioxolane

: 115-46-8
C18H21NO

: 185454-47-1
{1-[3-(1,3-dioxolan-2-yl)prop-1-yl]piperidin-4-yl}diphenylmethanol

Conditions

Conditions	Yield
With sodium hydrogencarbonate; potassium iodide In N,N-dimethyl-formamide at 50 - 68℃; Alkylation;	94%

: 115-46-8
C18H21NO

: 7693-46-1
4-Nitrophenyl chloroformate

: 1209468-67-6
4-nitrophenyl 4-(hydroxydiphenylmethyl)piperidine-1-carboxylate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0℃; for 1h;	94%
With triethylamine In dichloromethane for 2h; Inert atmosphere;	32%

: 332-42-3
(2-bromoethyl)-4-fluorobenzene

: 115-46-8
C18H21NO

: (1-(4-fluorophenethyl)piperidin-4-yl)diphenylmethanol

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 70℃; for 4h;	94%
With triethylamine In acetonitrile at 85℃; for 19h;	94%

: 115-46-8
C18H21NO

: 16004-15-2
1-bromomethyl-4-iodobenzene

: (1-(4-iodobenzyl)piperidin-4-yl)diphenylmethanol

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 70℃; for 4h;	94%

: 2417-72-3
Methyl 4-(bromomethyl)benzoate

: 115-46-8
C18H21NO

: methyl 4-((4-(hydroxydiphenylmethyl)piperidin-1-yl)methyl)benzoate

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 70℃; for 4h;	92%

: 115-46-8
C18H21NO

: 2-(6-(tert-butyl)pyridin-3-yl)ethyl 4-methylbenzenesulfonate

: (1-(2-(6-(tert-butyl)pyridin-3-yl)ethyl)piperidin-4-yl)diphenylmethanol

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 70℃; for 4h;	92%
With triethylamine In acetonitrile at 50℃; for 20h;	92%

: 115-46-8
C18H21NO

: 1444336-77-9
3-(benzyloxy)-6-bromo-2,4,5-trimethylpyridine

: (1-(5-(benzyloxy)-3,4,6-trimethylpyridin-2-yl)piperidin-4-yl)diphenylmethanol

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In toluene for 3h; Reflux;	92%

: 2386-60-9
perfluoro-1-butanesulfonyl fluoride

: 115-46-8
C18H21NO

: 1164112-42-8
[1-(butane-1-sulfonyl)piperidin-4-yl]diphenylmethanol

Conditions

Conditions	Yield
Stage #1: C18H21NO With triethylamine In dichloromethane at 0 - 5℃; for 0.166667h; Stage #2: perfluoro-1-butanesulfonyl fluoride In dichloromethane at 0 - 20℃;	91%

: 446-48-0
o-fluorobenzyl bromide

: 115-46-8
C18H21NO

: (1-(2-fluorobenzyl)piperidin-4-yl)diphenylmethanol

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 70℃; for 4h;	91%

: 169280-06-2
2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionitrile

: 115-46-8
C18H21NO

: 394222-36-7
2-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanenitrile

Conditions

Conditions	Yield
With lithium perchlorate In toluene at 150℃; for 4h; Reagent/catalyst; Temperature; Concentration; Solvent;	91%

: 115-46-8
C18H21NO

: 1694-92-4
2-Nitrobenzenesulfonyl chloride

: 1152785-34-6
[1-(2-nitrobenzenesulfonyl)piperidin-4-yl](diphenyl)methanol

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 5h;	90%
Stage #1: C18H21NO With triethylamine In dichloromethane at 0 - 5℃; for 0.166667h; Stage #2: 2-Nitrobenzenesulfonyl chloride In dichloromethane at 0 - 20℃;	87%

: 115-46-8
C18H21NO

: 98-59-9
p-toluenesulfonyl chloride

: 852860-46-9
diphenyl[1-(toluene-4-sulfonyl)piperidin-4-yl]methanol

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃;	90%
Stage #1: C18H21NO With triethylamine In dichloromethane at 0 - 5℃; for 0.166667h; Stage #2: p-toluenesulfonyl chloride In dichloromethane at 0 - 20℃;	90%

: 115-46-8
C18H21NO

: 98-09-9
benzenesulfonyl chloride

: 950054-08-7
(1-benzenesulfonylpiperidin-4-yl)diphenylmethanol

Conditions

Conditions	Yield
Stage #1: C18H21NO With triethylamine In dichloromethane at 0 - 5℃; for 0.166667h; Stage #2: benzenesulfonyl chloride In dichloromethane at 0 - 20℃;	90%

: 1347739-33-6
2-chloro-3-((4-chlorobenzyl)thio)naphthalene-1,4-dione

: 115-46-8
C18H21NO

: 1404074-76-5
2-((4-chlorobenzyl)thio)-3-(4-(hydroxydiphenylmethyl)piperidin-1-yl)naphthalene-1,4-dione

Conditions

Conditions	Yield
With sodium carbonate In dichloromethane for 4 - 6h;	90%

: 115-46-8
C18H21NO

: 98-60-2
4-chlorobenzenesulfonyl chloride

: [1-(4-chloro-benzenesulfonyl)-piperidin-4-yl]-diphenylmethanol

Conditions

Conditions	Yield
Stage #1: C18H21NO With triethylamine In dichloromethane for 0.166667h; Stage #2: 4-chlorobenzenesulfonyl chloride In dichloromethane at 20℃; for 5h; Further stages.;	89%
Stage #1: C18H21NO With triethylamine In dichloromethane at 0 - 5℃; for 0.166667h; Stage #2: 4-chlorobenzenesulfonyl chloride In dichloromethane at 0 - 20℃;	83%

: 80466-79-1
isoxazole-4-sulfonyl chloride

: 115-46-8
C18H21NO

: 1164112-38-2
(1-(3,5-dimethyl-2,3-dihydro-isoxazole-4-sulfonyl)-piperidin-4-yl)-diphenyl-methanol

Conditions

Conditions	Yield
Stage #1: C18H21NO With triethylamine In dichloromethane at 0 - 5℃; for 0.166667h; Stage #2: isoxazole-4-sulfonyl chloride In dichloromethane at 0 - 20℃;	89%

alpha,alpha-Diphenyl-4-piperidinomethanol Specification

The alpha,alpha-Diphenyl-4-piperidinomethanol, with the CAS registry number 115-46-8, is also known as Azacyclonol. It belongs to the product categories of Pharmaceutical Intermediates; Chemical intermediate for Fexofenadine HCl; Intermediatesoffexofenadine. Its EINECS number is 204-092-5. This chemical's molecular formula is C₁₈H₂₁NO and molecular weight is 267.37. What's more, its systematic name is Diphenyl(4-piperidinyl)methanol. Its classification code is Drug / Therapeutic Agent. This chemical is the intermediates of Fexofenadine hydrochloride.

Physical properties of alpha,alpha-Diphenyl-4-piperidinomethanol are: (1)ACD/LogP: 2.736; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.36; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.59; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.26 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 81.078 cm³; (15)Molar Volume: 242.242 cm³; (16)Polarizability: 32.142×10^-24cm³; (17)Surface Tension: 44.87 dyne/cm; (18)Density: 1.104 g/cm³; (19)Flash Point: 142.033 °C; (20)Enthalpy of Vaporization: 74.14 kJ/mol; (21)Boiling Point: 445.491 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation of alpha,alpha-Diphenyl-4-piperidinomethanol: this chemical can be prepared by 4-(Hydroxy-diphenyl-methyl)-1-ethoxycarbonyl-piperidin by heating. This reaction will need reagent 50% KOH and solvent ethanol with the reaction time of 24 hours. The yield is about 75%.

alpha,alpha-Diphenyl-4-piperidinomethanol can be prepared by 4-(Hydroxy-diphenyl-methyl)-1-ethoxycarbonyl-piperidin by heating

Uses of alpha,alpha-Diphenyl-4-piperidinomethanol: it can be used to produce (1-Methyl-[4]piperidyl)-diphenyl-methanol. It will need reagent NaBH₄. The yield is about 94%.

alpha,alpha-Diphenyl-4-piperidinomethanol can be used to produce (1-Methyl-[4]piperidyl)-diphenyl-methanol

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When using it, you must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(c1ccccc1)(c2ccccc2)C3CCNCC3
(2)Std. InChI: InChI=1S/C18H21NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17,19-20H,11-14H2
(3)Std. InChIKey: ZMISODWVFHHWNR-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	220mg/kg (220mg/kg)	Psychopharmacology Service Center, Bulletin. Vol. 2, Pg. 17, 1963.
mouse	LD50	intravenous	177mg/kg (177mg/kg)	Psychopharmacology Service Center, Bulletin. Vol. 2, Pg. 17, 1963.
mouse	LD50	oral	650mg/kg (650mg/kg)	Psychopharmacology Service Center, Bulletin. Vol. 2, Pg. 17, 1963.
mouse	LD50	subcutaneous	350mg/kg (350mg/kg)	Psychopharmacology Service Center, Bulletin. Vol. 2, Pg. 17, 1963.

Product Name

alpha,alpha-Diphenyl-4-piperidinomethanol

Synthetic route

alpha,alpha-Diphenyl-4-piperidinomethanol Specification

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