(8S,9S,10R,13S,14S,17R)-17-[(2S)-1-Hydroxy-2-propanyl]-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one | CAS No. 60966-36-1

(8S,9S,10R,13S,14S,17R)-17-[(2S)-1-Hydroxy-2-propanyl]-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one

Basic Information

CAS Number

60966-36-1

Molecular Formula

C22H34O2

Molecular Weight

330.51 g/mol

AD

Basic Physical Properties

CC(CO)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI

InChI=1S/C22H34O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12,14,17-20,23H,4-11,13H2,1-3H3/t14?,17-,18+,19-,20-,21-,22+/m0/s1

InChIKey

ZNWOYQVXPIEQRC-ZRFCQXGJSA-N

LogP

4.762900000000005

Topological Polar Surface Area

37.3 Ų

Hydrogen Bond Donor/Acceptor

1 / 2

Synonyms & References

English

  • Pregn-4-en-3-one,21-hydroxy-20-methyl-
  • 20-(HYDROXYMETHYL)PREGN-4-EN-3-ONE
  • Pregn-​4-​en-​3-​one, 21-​hydroxy-​20-​methyl-
  • (8S,9S,10R,13S,14S,17R)-17-(2-hydroxy-1-methyl-ethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 21-Hydroxy-20-methylpregn-4-en-3-one

FAQ

What are the physical and chemical properties of (8S,9S,10R,13S,14S,17R)-17-[(2S)-1-Hydroxy-2-propanyl]-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (CAS: 60966-36-1)?

This compound is a crystalline solid with a high molecular weight. It has poor water solubility but is soluble in organic solvents like dichloromethane and acetonitrile. Its reactivity is moderate, and it is susceptible to oxidative degradation. It does not react readily with common bases and acids.

How is (8S,9S,10R,13S,14S,17R)-17-[(2S)-1-Hydroxy-2-propanyl]-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (CAS: 60966-36-1) typically synthesized?

It is synthesized through a multistep process involving alkylation, cyclization, and hydroxylation reactions. Commonly, the synthesis involves the use of Grignard reagents and transition metal catalysts. The process yields are moderate, and the product is purified by column chromatography.

What industries use (8S,9S,10R,13S,14S,17R)-17-[(2S)-1-Hydroxy-2-propanyl]-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (CAS: 60966-36-1)?

This compound is used in the pharmaceutical industry for the development of certain drugs. It is also utilized in polymer chemistry for the synthesis of functional polymers and in the production of sensors due to its unique chemical properties.

What precautions should be taken when handling (8S,9S,10R,13S,14S,17R)-17-[(2S)-1-Hydroxy-2-propanyl]-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (CAS: 60966-36-1)?

Proper personal protective equipment (PPE) including gloves, goggles, and a lab coat should be worn. Handling should be performed in a fume hood. Spills should be cleaned up using appropriate absorbents and care should be taken to avoid inhalation or contact with skin or eyes. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

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