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(3beta,5alpha)-17-Oxoandrostan-3-yl 4-methylbenzenesulfonate(CAS: 10429-07-9)

(3beta,5alpha)-17-Oxoandrostan-3-yl 4-methylbenzenesulfonate
CAS Number

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Basic Information

Molecular Formula
C26H36O4S
Molecular Weight
444.64 g/mol

Chemical Identifiers

SMILES
Cc1ccc(cc1)S(=O)(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C
InChIKey
HNTMKSKJRZRWKS-MWLOVLLCSA-N

Database References

FAQ

(3beta,5alpha)-17-Oxoandrostan-3-yl 4-methylbenzenesulfonate is a crystalline compound with a molecular weight of approximately 432.48 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and ethanol. The compound is moderately reactive, displaying typical behavior for esters and sulfonates. It is stable under normal conditions but should be stored away from strong acids and bases.
(3beta,5alpha)-17-Oxoandrostan-3-yl 4-methylbenzenesulfonate is typically synthesized through a multi-step process involving the conversion of androst-3-ene-17-one to the 17-oxo derivative, followed by esterification with 4-methylbenzenesulfonyl chloride. The reaction is catalyzed by a suitable acid or base, and the product is isolated by recrystallization. This method provides a yield of approximately 75-85%.
(3beta,5alpha)-17-Oxoandrostan-3-yl 4-methylbenzenesulfonate finds applications in the pharmaceutical industry, particularly in the synthesis of progestogens. It is also used in the production of certain agrochemicals and as a precursor in fine chemical synthesis. Its use in polymer science and sensor technology is limited but continues to be explored for specialized applications.
When handling (3beta,5alpha)-17-Oxoandrostan-3-yl 4-methylbenzenesulfonate, proper personal protective equipment (PPE) including gloves, safety goggles, and a lab coat is essential. The compound should be handled in a fume hood to avoid inhalation. Spills should be cleaned up immediately with appropriate absorbent materials. For detailed safety information, refer to the Safety Data Sheet (SDS).

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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