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(11beta,16alpha)-9-Fluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-diene-16,21-diyl diacetate(CAS: 67-78-7)

(11beta,16alpha)-9-Fluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-diene-16,21-diyl diacetate
CAS Number

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Basic Information

Molecular Formula
C25H31FO8
Molecular Weight
478.5 g/mol

Physical Properties

Melting Point
186-188 C
Boiling Point
608.5±55.0 °C at 760 mmHg
Density
1.2087 (estimate)
Flash Point
321.8±31.5 °C

Chemical Identifiers

SMILES
CC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)OC(=O)C)O
InChIKey
XGMPVBXKDAHORN-RBWIMXSLSA-N

Database References

MDL Number
MFCD00056462

FAQ

This compound is a crystalline solid with a molecular weight of approximately 518.45 g/mol. It is sparingly soluble in water and ethanol. Chemically, it is highly reactive due to the presence of the acetate esters and the fluoro and hydroxyl functional groups. It has a melting point around 160-165°C. The compound is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.
This compound is typically synthesized through a multi-step process involving the conversion of a pregnane derivative to the fluoro-diol intermediate, followed by acetylation. Commonly used catalysts include sulfuric acid or trifluoromethanesulfonic acid. The overall yield is approximately 60-70%, with good selectivity towards the desired diacetate product.
This compound is primarily used in the pharmaceutical industry for its hormonal properties. It can be used as an intermediate in the synthesis of certain steroid hormones. Additionally, it may find applications in research for its steroidal structure, making it relevant to the chemical and biochemical industries.
When handling this compound, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or in a fume hood due to its reactivity. Spills should be cleaned up immediately with appropriate absorbents. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.

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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