9,11beta-Epoxy-17-hydroxy-16beta-methyl-3,20-dioxo-9beta-pregna-1,4-diene-21-yl acetate | CAS No. 912-38-9

9,11beta-Epoxy-17-hydroxy-16beta-methyl-3,20-dioxo-9beta-pregna-1,4-diene-21-yl acetate

Basic Information

CAS Number

912-38-9

Molecular Formula

C24H30O6

Molecular Weight

414.5 g/mol

AD

Basic Physical Properties

CC1CC2C3CCC4=CC(=O)C=CC4(C35C(O5)CC2(C1(C(=O)COC(=O)C)O)C)C

InChI

InChI=1S/C24H30O6/c1-13-9-18-17-6-5-15-10-16(26)7-8-21(15,3)24(17)20(30-24)11-22(18,4)23(13,28)19(27)12-29-14(2)25/h7-8,10,13,17-18,20,28H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,20-,21-,22-,23-,24+/m0/s1

InChIKey

MONKXVNQUJNHLQ-LGLNQOIUSA-N

LogP

2.5349000000000004

Topological Polar Surface Area

93.2 Ų

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

919

Synonyms & References

English

  • 9β,11β-Epoxy-17,21-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione 21-Acetate
  • 9beta,11beta-epoxy-17,21-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-acetate
  • Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-9,11-epoxy-17-hydroxy-16-methyl-, (9b,11b,16b)-
  • 9b-Pregna-1,4-diene-3,20-dione,9,11b-epoxy-17,21-dihydroxy-16b-methyl-, 21-acetate(6CI,7CI,8CI)
  • (9β,11β,16β)-21-(Acetyloxy)-9,11-epoxy-17-hydroxy-16-methylpregna-1,4-diene-3,20-dione (ACI)
  • 9β-Pregna-1,4-diene-3,20-dione, 9,11β-epoxy-17,21-dihydroxy-16β-methyl-, 21-acetate (6CI, 7CI, 8CI)
  • 2-((4aS,4bS,5aS,6aS,7R,8S,9aS,9bS)-7-hydroxy-4a,6a,8-trimethyl-2-oxo-2,4a,5a,6,6a,7,8,9,9a,9b,10,11-dodecahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-7-yl)-2-oxoethyl acetate
  • 9,11beta-Epoxy-17-hydroxy-16beta-methyl-3,20-dioxo-9beta-pregna-1,4-diene 21-Acetate
  • EINECS 213-012-8
  • 9.BETA.,11.BETA.-EPOXY-17-HYDROXY-16.ALPHA.-METHYL-3,20-DIOXOPREGNA-1,4-DIEN-21-YL ACETATE
  • Q27286994
  • 9,11.BETA.-EPOXY-17-HYDROXY-16.BETA.-METHYL-3,20-DIOXO-9.BETA.-PREGNA-1,4-DIENE-21-YL ACETATE
  • 9?,11?-Epoxy-17,21-dihydroxy-16?-methylpregna-1,4-diene-3,20-dione 21-Acetate
  • NS00042007
  • Q4RBW718KS
  • 9,11beta-Epoxy-17-hydroxy-16beta-methyl-3,20-dioxo-9beta-pregna-1,4-diene-21-yl acetate
  • PREGNA-1,4-DIENE-3,20-DIONE, 21-(ACETYLOXY)-9,11-EPOXY-17-HYDROXY-16-METHYL-, (9.BETA.,11.BETA.,16.BETA.)-
  • 9beta,11beta-Epoxy-17,21-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-acetate
  • AKOS030243017
  • 9-DEFLUORO EPOXY BETAMETHASONE ACETATE
  • 912-38-9
  • DTXSID10919891
  • SCHEMBL5708007
  • 9.BETA.-PREGNA-1,4-DIENE-3,20-DIONE, 9,11.BETA.-EPOXY-17,21-DIHYDROXY-16.BETA.-METHYL-, 21-ACETATE
  • 17-Hydroxy-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate
  • [2-[(1S,2S,10S,11S,13S,14R,15S,17S)-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate
  • 9b,11b-Epoxy-17,21-dihydroxy-16b-methylpregna-1,4-diene-3,20-dione 21-Acetate
  • UNII-Q4RBW718KS
  • BETAMETHASONE ACETATE IMPURITY D [EP IMPURITY]
  • (+)-(9beta,11beta,16beta)-21-(Acetyloxy)-9,11-epoxy-17-hydroxy-16-methyl-pregna-1,4-diene-3,20-dione; Betamethasone Acetate EP Impurity D

MDL Number

MFCD28359078

FAQ

What are the physical and chemical properties of 9,11beta-Epoxy-17-hydroxy-16beta-methyl-3,20-dioxo-9beta-pregna-1,4-diene-21-yl acetate (CAS: 912-38-9)?

The compound is a crystalline solid with a molecular weight of approximately 518.59 g/mol. It is highly lipophilic with poor water solubility. The compound is reactive towards nucleophiles and can undergo hydrolysis under certain conditions. It has a melting point of around 160°C and is soluble in organic solvents like acetone and chloroform.

How is 9,11beta-Epoxy-17-hydroxy-16beta-methyl-3,20-dioxo-9beta-pregna-1,4-diene-21-yl acetate (CAS: 912-38-9) typically synthesized?

The compound is typically synthesized via a multi-step process involving the formation of a pregnenolone derivative, followed by epoxidation, hydroxylation, and acetylation reactions. The key reagents used include bromoacetic acid, sodium hypochlorite, and acetic anhydride. The process often requires the use of palladium catalysts and involves careful control of reaction conditions to achieve high selectivity and yield.

What industries use 9,11beta-Epoxy-17-hydroxy-16beta-methyl-3,20-dioxo-9beta-pregna-1,4-diene-21-yl acetate (CAS: 912-38-9)?

This compound is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various hormonal drugs. It is also of interest in the research and development of new biologically active molecules. Limited use is also observed in the synthesis of certain bioactive compounds for agriculture and environmental applications.

What precautions should be taken when handling 9,11beta-Epoxy-17-hydroxy-16beta-methyl-3,20-dioxo-9beta-pregna-1,4-diene-21-yl acetate (CAS: 912-38-9)?

When handling this compound, safety goggles, gloves, and a lab coat are essential. Work should be performed in a fume hood to minimize inhalation risks. Spills should be immediately cleaned up with appropriate absorbent materials. The compound should be stored in a cool, dry place away from strong acids and bases. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.

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