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Ethyl (3R,4R,5S)-4-N-Acetyl(1,1-dimethylethyl)amino-5-N,N-diallylamino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate monohydrochloride(CAS: 651324-08-2)

Ethyl (3R,4R,5S)-4-N-Acetyl(1,1-dimethylethyl)amino-5-N,N-diallylamino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate monohydrochloride
CAS Number

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Basic Information

Molecular Formula
C26H45ClN2O4
Molecular Weight
485.1 g/mol

Chemical Identifiers

SMILES
CCC(CC)OC1C=C(CC(C1N(C(=O)C)C(C)(C)C)N(CC=C)CC=C)C(=O)OCC.Cl
InChIKey
PUBKCMTVXFIUCX-BAUONJEJSA-N

Database References

MDL Number
MFCD09032929

FAQ

This compound is a monohydrochloride salt with a crystalline form. Its molecular weight is approximately 658.8 g/mol. It has a low solubility in water but is soluble in organic solvents. Chemically, it is a reactive compound, capable of undergoing nucleophilic substitution reactions and protonation due to its amine groups.
This compound can be synthesized via a multi-step process involving acetylation, allylation, and esterification reactions. Commonly, a Grignard reagent is used to allylate the starting cyclohexene derivative, followed by acetylation and esterification. The yield is typically around 70-80%, with high selectivity for the desired stereoisomer.
This compound is primarily used in the pharmaceutical industry for the synthesis of complex organic molecules. It may also find applications in the polymer industry for developing novel materials with specific properties. Additionally, it could be used in the development of sensors and semiconductors due to its unique chemical structure.
When handling this compound, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Handling should be done in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the safety data sheet (SDS) for detailed safety instructions.

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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