Compound Q&A

How is (S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile Di-p-toluoyl-D-tartrate Salt (2:1) (CAS: 128173-53-5) typically synthesized?

Answer

(S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile Di-p-toluoyl-D-tartrate Salt (2:1)
This compound is typically synthesized via a multistep process involving alkylation, amination, and esterification. The key steps include the reaction of 4-fluorophenylacetic acid with dimethylamine, followed by coupling with a hydroxybutyric acid derivative. The final step involves complexation with di-p-toluoyl-D-tartrate to form the salt. This process requires careful control of pH and temperature to achieve high yield and selectivity.

About

English Name (S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile Di-p-toluoyl-D-tartrate Salt (2:1)
Molecular Formula C60H64F2N4O12
Molecular Weight 1071.2 g/mol
SMILES CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O.CN(C)CCCC(C1=CC=C(C=C1)F)(C2=C(C=C(C=C2)C#N)CO)O.CN(C)CCCC(C1=CC=C(C=C1)F)(C2=C(C=C(C=C2)C#N)CO)O
InChIKey XADVDTANOZJZTP-XZWFXUMZSA-N
Last Updated: 2025-10-16 16:48

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