Basic information Safety Supplier Related

(-)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile

Basic information Safety Supplier Related

(-)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile Basic information

Product Name:
(-)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile
Synonyms:
  • (S)-4-(4-(DiMethylaMino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxyMethyl)benzonitrile
  • (S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxy-1-butyl]-3-(hydroxymethyl)benzonitrile
  • (S)-Citadiol
  • Benzonitrile, 4-[(1S)-4-(diMethylaMino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxyMethyl)-
  • EscitalopraM interMediate B
  • 4-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)Benzonitrile
  • -1-hydroxybutyl)
  • -4-(4-(Dimethylamino)
CAS:
488787-59-3
MF:
C20H23FN2O2
MW:
342.41
EINECS:
430-770-7
Mol File:
488787-59-3.mol
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(-)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile Chemical Properties

Boiling point:
537.2±50.0 °C(Predicted)
Density 
1.22±0.1 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
pka
12.97±0.29(Predicted)
InChI
InChI=1S/C20H23FN2O2/c1-23(2)11-3-10-20(25,17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24/h4-9,12,24-25H,3,10-11,14H2,1-2H3/t20-/m0/s1
InChIKey
GNULRNVWXYXBQY-FQEVSTJZSA-N
SMILES
C(#N)C1=CC=C([C@](C2=CC=C(F)C=C2)(O)CCCN(C)C)C(CO)=C1
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(-)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile Usage And Synthesis

Uses

(S)-Citadiol is an intermediate in the synthesis of Citalopram, Hydrobromide Salt (C505000), an inhibitor of serotonin (5-HT) uptake making it an antidepressant.

(-)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrileSupplier

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