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93413-76-4

93413-76-4 Structure

93413-76-4 Structure
IdentificationMore
[Name]

1-[Cyano-(p-methoxyphenyl)methyl]cyclohexanol
[CAS]

93413-76-4
[Synonyms]

1-[(1-CYANO)-1-(4-METHOXYPHENYL)METHYL] CYCLOHEXANOL
1-(CYANO-(4-METHOXY PHENYL) METHYL) CYCLOHEXANOL
1-[CYANO-(P-METHOXYPHENYL)METHYL]CYCLOHEXANOL
1-HYDROXYCYCLOHEXYL-4-METHOXY PHENYL ACETONITRILE
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
Intermediate of Venlafaxine
1-[Cyano-(4-Methoxyphenyl)Meth
1-(hydroxycyclohexyl)-(4-methoxyphenyl)acetonitrile (intermediate of venlafaxine)
1-hydroxy cyclohexyl-4-methoxy phenyl acetonitrile (intermediate of venlafaxine hcl)
1-[CYANO-(4-METHOXYPHENYL)METHYL]CYCLOHEXANOL[FOR VENLAFAXINE HCL]
1-(cyclohexanol)-(4methoxyphenyl)acetonitrile
[EINECS(EC#)]

618-945-8
[Molecular Formula]

C15H19NO2
[MDL Number]

MFCD06658142
[Molecular Weight]

245.32
[MOL File]

93413-76-4.mol
Chemical PropertiesBack Directory
[Appearance]

White Powder
[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
[pka]

13.80±0.20(Predicted)
[color ]

White to Almost white
[Usage]

An intermediate in the synthesis of N,O-Didesmethylvenlafaxine, a metabolite of Venlafaxine
[CAS DataBase Reference]

93413-76-4(CAS DataBase Reference)
Questions And AnswerBack Directory
[Synthesis]

A 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).
Safety DataBack Directory
[HS Code ]

2926.90.4850
Hazard InformationBack Directory
[Chemical Properties]

White Powder
[Uses]

An intermediate in the synthesis of N,O-Didesmethylvenlafaxine, a metabolite of Venlafaxine
Spectrum DetailBack Directory
[Spectrum Detail]

2-(1-HydroxyCyclohexyl)-2-(4-MethoxyPhenyl)Acetonitrile(93413-76-4)1HNMR
2-(1-HydroxyCyclohexyl)-2-(4-MethoxyPhenyl)Acetonitrile(93413-76-4)13CNMR
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