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

(S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile Di-p-toluoyl-D-tartrate Salt (2:1)
CAS Number

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Basic Information

Molecular Formula
C60H64F2N4O12
Molecular Weight
1071.2 g/mol

Physical Properties

Melting Point
134-135 ºC

Chemical Identifiers

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

Database References

MDL Number
MFCD11865143

FAQ

This compound is a crystalline salt with a high melting point. Its molecular weight is approximately 1044.4 g/mol. It has low solubility in water but good solubility in organic solvents. Chemically, it is relatively stable but can react with strong acids or bases. It is often used in pharmaceutical applications due to its specific chemical structure.
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.
This compound is primarily used in the pharmaceutical industry due to its biological activity. It may also be used in the development of sensors and semiconductors, particularly in applications requiring specific functional groups or molecular structures. Its use in polymer science is less common but possible for specialized applications.
When handling this compound, it is important to use appropriate personal protective equipment (PPE), including gloves, safety goggles, and lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbents, and the area should be ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

Safety Notice

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

Always follow proper handling procedures

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