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(6alpha,11beta,16alpha,17alpha)-17-{[(Chloromethyl)sulfanyl]carbonyl}-6,9-difluoro-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl propionate(CAS: 80486-69-7)

(6alpha,11beta,16alpha,17alpha)-17-{[(Chloromethyl)sulfanyl]carbonyl}-6,9-difluoro-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl propionate
CAS Number

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Basic Information

Molecular Formula
C25H31ClF2O5S
Molecular Weight
517.03 g/mol

Chemical Identifiers

SMILES
CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SCCl
InChIKey
MVLBCBPGBUAVJQ-CENSZEJFSA-N

Database References

MDL Number
MFCD00866168

FAQ

The compound (6alpha,11beta,16alpha,17alpha)-17-{[(Chloromethyl)sulfanyl]carbonyl}-6,9-difluoro-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl propionate, CAS 80486-69-7, is a white crystalline solid with a molecular weight of approximately 688.9 g/mol. It is slightly soluble in water and ethanol. The compound exhibits good stability towards hydrolysis in neutral and basic media but is reactive towards acid conditions. It exhibits a moderate reactivity towards nucleophiles, which can lead to various functional group transformations.
This compound can be synthesized via a multi-step process involving the conversion of a steroid precursor to the desired 17-carbonyl derivative. Common methods include the use of chlorosulfonic acid for sulfenylation, followed by acylation with a propionylating agent under mild or moderate conditions. The process involves careful control of reaction conditions to achieve high selectivity and yield. Catalysts such as phase transfer catalysts and acid scavengers are often employed to enhance reaction efficiency and product purity.
This compound is primarily used in the pharmaceutical industry for its potential as a pharmacologically active compound. It may also find applications in the synthesis of other bioactive molecules. While its specific uses are limited, it can be relevant in research and development for drug discovery and synthesis of related compounds. However, detailed applications in other industries like polymers or sensors are not currently documented.
When handling (6alpha,11beta,16alpha,17alpha)-17-{[(Chloromethyl)sulfanyl]carbonyl}-6,9-difluoro-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl propionate, CAS 80486-69-7, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be handled carefully, and the material safety data sheet (MSDS) or safety data sheet (SDS) should be consulted for specific handling instructions. Due to its reactivity towards acid conditions, it is crucial to avoid contact with acids during handling and storage.

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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