Methyl (6alpha,11beta,16alpha,17alpha)-6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylate | CAS No. 28416-84-4

Methyl (6alpha,11beta,16alpha,17alpha)-6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylate

Basic Information

CAS Number

28416-84-4

Molecular Formula

C22H28F2O5

Molecular Weight

410.46 g/mol

AD

Basic Physical Properties

Boiling Point

508.894 °C at 760 mmHg

Flash Point

261.57 °C

COC(=O)[C@]2(O)[C@@]3(C)C[C@H](O)[C@]4(F)[C@@]\1(C)/C=C\C(=O)/C=C/1[C@@H](F)C[C@H]4[C@@H]3C[C@H]2C

InChI

InChI=1S/C22H28F2O5/c1-11-7-13-14-9-16(23)15-8-12(25)5-6-19(15,2)21(14,24)17(26)10-20(13,3)22(11,28)18(27)29-4/h5-6,8,11,13-14,16-17,26,28H,7,9-10H2,1-4H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1

InChIKey

HTJSTTZFHWMHDB-GQKYHHCASA-N

LogP

2.4553000000000003

Topological Polar Surface Area

83.83000000000001 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

839

Synonyms & References

English

  • (6a,11b,16a,17a)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid methyl ester
  • Δ1,4-16α-Methyl-6α,9α-difluoro-11β,17α-dihydroxy-3-oxo-androstadien-17-carbonsaeuremethylester
  • 416D844
  • Methyl (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,

FAQ

What are the physical and chemical properties of Methyl (6alpha,11beta,16alpha,17alpha)-6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylate (CAS: 28416-84-4)?

Methyl (6alpha,11beta,16alpha,17alpha)-6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylate (CAS: 28416-84-4) is a crystalline solid with a molecular weight of approximately 424.39 g/mol. It is sparingly soluble in water and methanol. Chemically, it is reactive towards nucleophiles and can undergo esterification and hydrolysis reactions. The compound is stable under normal storage conditions but requires handling in a fume hood to avoid inhalation exposure.

How is Methyl (6alpha,11beta,16alpha,17alpha)-6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylate (CAS: 28416-84-4) typically synthesized?

Methyl (6alpha,11beta,16alpha,17alpha)-6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylate (CAS: 28416-84-4) is typically synthesized via a multistep process involving the synthesis of the corresponding 17-carboxyandrostene, followed by the introduction of the fluoro substituents and the hydroxylation at C-11 and C-17 positions. The reaction often requires the use of specialized catalysts and reagents, with high chemical selectivity, and yields of around 75% can be achieved.

What industries use Methyl (6alpha,11beta,16alpha,17alpha)-6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylate (CAS: 28416-84-4)?

Methyl (6alpha,11beta,16alpha,17alpha)-6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylate (CAS: 28416-84-4) is primarily used in the pharmaceutical industry for the development of hormonal drugs. The compound may also be used in the research and development of new therapeutic agents. It is less commonly used in other industries such as polymers, sensors, and semiconductors.

What precautions should be taken when handling Methyl (6alpha,11beta,16alpha,17alpha)-6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylate (CAS: 28416-84-4)?

When handling Methyl (6alpha,11beta,16alpha,17alpha)-6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylate (CAS: 28416-84-4), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place, away from direct sunlight and heat sources. In case of a spill, the area should be evacuated, and the spill should be cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.

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