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2-(1-HydroxyCyclohexyl)-2-(4-MethoxyPhenyl)Acetonitrile

2-(1-HydroxyCyclohexyl)-2-(4-MethoxyPhenyl)Acetonitrile Basic information
Synthesis
Product Name:2-(1-HydroxyCyclohexyl)-2-(4-MethoxyPhenyl)Acetonitrile
Synonyms:alpha-(1-Hydroxycyclohexyl)-4-methoxybenzeneacetonitrile;1-(Hydroxycyclohexyl)-(4-Methoxyphenly)Acetonitrlle;1-[(1-CYANO)-1-(4-METHOXYPHENYL)METHYL]CYCLODEXANOL;1-[Cyno-(4-Methoxyphenyl)Methyl]Cyclohexanol(Vf1);1-HydroxyCyclohexyl-4-MethoxyPhenylAcetonitrile(ForVenlafaxineHcl);forVenlafaxine;1-(cyclohexanol)-(4methoxyphenyl)acetonitrile;Intermediate of Venlafaxine
CAS:93413-76-4
MF:C15H19NO2
MW:245.32
EINECS:618-945-8
Product Categories:Intermediates & Fine Chemicals;Pharmaceuticals;Medicine intermediate;Nitriles;API intermediates;(intermediate of venlafaxine);(intermediate of venlafaxine hcl)
Mol File:93413-76-4.mol
2-(1-HydroxyCyclohexyl)-2-(4-MethoxyPhenyl)Acetonitrile Structure
2-(1-HydroxyCyclohexyl)-2-(4-MethoxyPhenyl)Acetonitrile Chemical Properties
Melting point 121-123°C
Boiling point 410.1±25.0 °C(Predicted)
density 1.142±0.06 g/cm3(Predicted)
storage temp. Sealed in dry,2-8°C
solubility soluble in Methanol
form powder to crystal
pka13.80±0.20(Predicted)
color White to Almost white
CAS DataBase Reference93413-76-4(CAS DataBase Reference)
Safety Information
HS Code 2926.90.4850
MSDS Information
2-(1-HydroxyCyclohexyl)-2-(4-MethoxyPhenyl)Acetonitrile Usage And Synthesis
SynthesisA mixture of p-methoxyphenylacetonitrile 36 (100 g, 0.68 mol), 10% aqueous NaOH solution (100 ml, 0.25 mol) and TBAHSO4 (5 g, 0.014 mol) was stirred at room temperature for 30 minutes. A dark red colour appeared. To this was added cyclohexanone 34 (67 g, 0.680 mol) in small portions at 0 ºC, with vigorous stirring, in such a way that temperature should not rise above 10 ºC. A white solid was formed within 30 minutes to one hour. The solid was crushed and the reaction mixture was further stirred vigorously at room temperature for one more hour. The solid was filtered, washed with water till neutral to pH paper and air-dried. Crystallization from ethyl acetatepetroleum ether (500:350, v/v) gave a bright white solid (161.66 g).
Chemical PropertiesWhite Powder
UsesAn intermediate in the synthesis of N,O-Didesmethylvenlafaxine, a metabolite of Venlafaxine
2-(1-HydroxyCyclohexyl)-2-(4-MethoxyPhenyl)Acetonitrile Preparation Products And Raw materials
Raw materialsCyclohexanol-->Anisonitrile-->4-Methoxybenzyl cyanide-->Cyclohexanone
Preparation ProductsN,N-dimethyl-4-methoxyphenylethylamine-->D,L N-Desmethylvenlafaxine
rac N,N-DidesMethyl-N-(4-hydroxyphenethyl)-O-desMethyl Venlafaxine (2RS)-2-Cyclohexyl-2-(4-Methoxyphenyl)-N,NdiMethylethanaMineHydrochloride (2RS)-2-(Cyclohex-1-enyl)-2-(4-Methoxyphenyl)-N,N-diMethylethanaMine Hydrochloride N,N-Dimethyl-4-methoxyphenethylamine hydrochloride 2-cyclohexyl-2-(4-methoxyphenyl)-N,N-dimethylethan-1-amine hydrochloride O-DesMethyl Venlafaxine DiMer 295366-48-2 N,N-dimethyl-4-methoxyphenylethylamine D,L-N,N-Didesmethyl-N-(4-methoxyphenethyl) Venlafaxine (5RS)-5-(4-Methoxyphenyl)-3-Methyl-1-oxa-3-azaspiro-[5.5]undecane Hydrochloride Venlafaxine Impurity 5 1-[2-Amino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol hydrochloride rac Deoxy-O-desMethyl Venlafaxine O-DesMethyl Venlafaxine Cyclic IMpurity Methyl 4-Methoxybenzyl cyanide 1-[2-CYANO-(4-METHOXYPHENYL)METHYL]CYCLOHEXANOL Cyano
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