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[2S-[2ALPHA,5BETA(3S*,5S*)]]-2,2-DIMETHYLPROPANOIC ACID 3-[TETRAHYDRO-5-(3-HYDROXY-6-IODO-5-METHYL-6-HEPTENYL)-4-METHYLENE-2-FURANYL]PROPYL ESTER(CAS: 157322-47-9)

[2S-[2ALPHA,5BETA(3S*,5S*)]]-2,2-DIMETHYLPROPANOIC ACID 3-[TETRAHYDRO-5-(3-HYDROXY-6-IODO-5-METHYL-6-HEPTENYL)-4-METHYLENE-2-FURANYL]PROPYL ESTER
CAS Number

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Basic Information

Molecular Formula
C21H35IO4
Molecular Weight
478.4 g/mol

Chemical Identifiers

SMILES
IC(=C)C(C)CC(CCC1C(=C)CC(CCCOC(C(C)(C)C)=O)O1)O
InChIKey
BATPHVGPKRJKIK-UHFFFAOYSA-N

FAQ

This compound has a crystalline form and a molecular weight of approximately 546.4 g/mol. It is slightly soluble in water and has limited solubility in common organic solvents. Chemically, it shows reactivity towards nucleophiles due to its ester functionality. It is not particularly prone to hydrolysis or oxidation under normal conditions.
This compound is typically synthesized through a multi-step process involving esterification and functional group transformations. Commonly, it is prepared by reacting 3-(tetrahydro-5-(3-hydroxy-6-iodo-5-methyl-6-heptenyl)-4-methylene-2-furanyl)propyl alcohol with 2,2-dimethylpropionic acid under basic conditions, followed by esterification with a suitable base. The reaction yield is moderate to high, and the use of catalysts such as sodium hydride or potassium tert-butoxide can improve selectivity and yield.
This compound is primarily used in the pharmaceutical industry for its potential as a precursor in the synthesis of active pharmaceutical ingredients. It is also explored in the chemical and materials industries for its unique chemical reactivity and functional groups, which can be utilized in various applications such as sensor development and semiconductor processing.
When handling this compound, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure that all work is conducted in a well-ventilated area or a fume hood. Spills should be handled carefully and neutralized with a suitable reagent before disposal. Always consult the Safety Data Sheet (SDS) for specific 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