Compound Q&A
How is (6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl 2-furoate (CAS: 397864-44-7) typically synthesized?
Answer
![(6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl 2-furoate](https://static.chemtradehub.com/structs/397/397864-44-7-6c02.webp "(6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl 2-furoate")
This compound is typically synthesized through a multi-step procedure involving fluoroalkylation and sulfonate ester formation. Commonly used catalysts include trifluoromethanesulfonic acid and N-ethyl-N-isopropylamine (DIPEA). The overall yield is around 70-80%, with good selectivity for the desired product.
About
CAS No
397864-44-7
English Name
(6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl 2-furoate
Molecular Formula
C27H29F3O6S
Molecular Weight
538.58 g/mol
SMILES
CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)SCF)OC(=O)C5=CC=CO5)C)O)F)C)F
InChIKey
XTULMSXFIHGYFS-VLSRWLAYSA-N
Last Updated: 2025-09-25 13:48
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