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(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)

(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 Number

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Basic Information

Molecular Formula
C27H29F3O6S
Molecular Weight
538.58 g/mol

Chemical Identifiers

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

Database References

MDL Number
MFCD09954122

FAQ

This compound is a crystalline solid with a molecular weight of approximately 552.15 g/mol. It has a low solubility in water but is soluble in organic solvents like dichloromethane. The compound is relatively stable under normal conditions but can decompose at elevated temperatures. It reacts readily with nucleophiles due to the presence of the fluoro substitution and the carbonyl group.
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.
This compound is primarily used in the pharmaceutical industry for the development of new drugs due to its unique chemical structure. It may also have potential applications in the polymer industry for the synthesis of high-performance polymers and in the sensor industry for detecting specific chemical species.
When handling this compound, appropriate personal protective equipment (PPE) such as gloves, safety glasses, and lab coats should be worn. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, it should be cleaned up using appropriate absorbent materials and the site should be thoroughly washed down. Always consult the Safety Data Sheet (SDS) for detailed 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

Contact Information

Contact Person

Jin Jinle (National Unified Telephone Line)

Email

hnjjlchem@126.com

Telephone

10106090

Address

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