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(S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile(CAS: 488787-59-3)

(S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile
CAS Number

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Basic Information

Molecular Formula
C20H23FN2O2
Molecular Weight
342.41 g/mol

Physical Properties

Boiling Point
537.2°C at 760 mmHg

Chemical Identifiers

SMILES
OCc1cc(C#N)ccc1[C@@](c1ccc(cc1)F)(CCCN(C)C)O
InChIKey
GNULRNVWXYXBQY-FQEVSTJZSA-N

Database References

MDL Number
MFCD16661208

FAQ

(S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile is a white crystalline solid with a molecular weight of approximately 397.4 g/mol. It has a high solubility in polar aprotic solvents such as dimethylformamide and acetone. The compound exhibits good reactivity in nucleophilic substitution reactions and exhibits moderate stability under normal storage conditions. It is insoluble in water but soluble in common organic solvents. Proper handling is advised due to its reactivity.
(S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile is synthesized via a multi-step process involving the protection of an amino group, followed by a coupling reaction with a fluoroarene, hydrolysis, and alkylation. The final step involves the formation of the benzonitrile via a nucleophilic substitution reaction. This synthesis typically requires the use of a catalytic amount of a proton source and proceeds with high selectivity and yield.
(S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile is used in the pharmaceutical industry for its potential as a drug candidate, particularly in the development of treatments for inflammatory and autoimmune diseases. It is also of interest in the polymer industry for its potential use in the synthesis of novel materials and in the electronics industry for its application in sensors and semiconductors.
When handling (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile, use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up with appropriate absorbent materials and disposed of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

Contact Person

Fang Rui

Email

wangkang@jskchem.com

Mobile

15221441005

Telephone

15221441005

Address

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