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2-[(1S)-3-(Diisopropylamino)-1-phenylpropyl]-4-(hydroxymethyl)phenyl 2-methylpropanoate (2E)-2-butenedioate (1:1)(CAS: 1431511-18-0)

2-[(1S)-3-(Diisopropylamino)-1-phenylpropyl]-4-(hydroxymethyl)phenyl 2-methylpropanoate (2E)-2-butenedioate (1:1)
CAS Number

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Basic Information

Molecular Formula
C30H41NO7
Molecular Weight
527.66 g/mol

Chemical Identifiers

SMILES
CC(C)C(=O)Oc1ccc(cc1[C@@H](CCN(C(C)C)C(C)C)c2ccccc2)CO.C(=C/C(=O)O)\C(=O)O
InChIKey
MWHXMIASLKXGBU-LASJEQTRSA-N

Database References

FAQ

The compound exhibits a crystalline form with a molecular weight of approximately 600 g/mol. It has a low solubility in water but is soluble in organic solvents like dichloromethane and ethanol. Chemically, it is reactive towards nucleophiles and can undergo ester hydrolysis under basic conditions. Its pKa is around 10, indicating basicity.
The compound is synthesized by esterification of 2-[(1S)-3-(Diisopropylamino)-1-phenylpropyl]-4-(hydroxymethyl)phenol with 2-methylpropanoic acid, followed by the condensation with (2E)-2-butenoyl chloride. Commonly used catalysts include sulfuric acid and Dean-Stark apparatus to ensure high yield and selectivity.
This compound is primarily used in the pharmaceutical industry for the synthesis of novel drug intermediates. It also finds applications in the production of advanced polymers and as a sensing material in analytical chemistry and semiconductor manufacturing.
When handling this compound, wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood. In case of a spill, immediately clean up with appropriate absorbent material and follow the safety data sheet (SDS) guidelines for disposal. Ensure proper ventilation and avoid inhalation of vapors.

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

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