2-[(8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanal | CAS No. 24254-01-1

2-[(8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanal

Basic Information

CAS Number

24254-01-1

Molecular Formula

C22H32O2

Molecular Weight

328.5 g/mol

AD

Basic Physical Properties

CC(C=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

InChI

InChI=1S/C22H32O2/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/h12-14,17-20H,4-11H2,1-3H3/t14?,17-,18+,19-,20-,21-,22+/m0/s1

InChIKey

XVPJEGGIGJLDQK-ZRFCQXGJSA-N

LogP

4.969500000000005

Topological Polar Surface Area

34.14 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

591

Synonyms & References

English

  • 5EQD2A2KM6
  • UNII-5EQD2A2KM6
  • SCHEMBL3091091
  • PROGESTERONE IMPURITY I [EP IMPURITY]
  • 20-Formylpregn-4-en-3-one
  • 2-[(8S, 9S, 10R, 13S, 14S, 17R)-10, 13-dimethyl-3-oxo-1, 2, 6, 7, 8, 9, 11, 12, 14, 15, 16, 17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanal
  • 3-Oxopregn-4-ene-20-carbaldehyde
  • 2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanal
  • Pregn-4-ene-20-carboxaldehyde, 3-oxo-
  • DTXSID70885260
  • 3-Oxopregnen-4-ene-20-carboxaldehyde
  • 3-OXOPREGN-4-ENE-20-CARBOXALDEHYDE
  • 24254-01-1
  • (20RS)-20-METHYL-3-OXOPREGN-4-EN-21-AL
  • pregn-4-en-3-one-20-carbaldehyde
  • Pregn-4-ene-20-carboxaldehyde,3-oxo-
  • 20β-carboxyaldehyde-4-pregnen-3-one
  • LogP
  • 2-((8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanal

FAQ

What are the physical and chemical properties of 2-[(8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanal (CAS: 24254-01-1)?

This compound is a crystalline solid with a molecular weight of approximately 518.59 g/mol. It has a low solubility in water but is moderately soluble in organic solvents like methanol and dichloromethane. Chemically, it is less reactive compared to typical aldehydes, showing moderate reactivity in nucleophilic addition reactions. It is stable under normal conditions but should be stored in a dry, cool place to prevent decomposition.

How is 2-[(8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanal (CAS: 24254-01-1) typically synthesized?

This compound is typically synthesized through a multistep process involving aromatic substitution reactions and Diels-Alder reactions. The key steps include the preparation of a cyclopenta[a]phenanthrene precursor and subsequent functionalization to form the propanal group. Detailed procedures often involve the use of transition metal catalysts and boron reagents to achieve high selectivity and yield.

What industries use 2-[(8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanal (CAS: 24254-01-1)?

This compound is used in the pharmaceutical industry for developing anti-inflammatory and anti-cancer drugs due to its unique structural features. It also has potential applications in the polymer industry for synthesizing special polymers. Additionally, it can be utilized in the sensor and semiconductor industries for the preparation of functional materials with specific properties.

What precautions should be taken when handling 2-[(8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanal (CAS: 24254-01-1)?

Handling this compound requires appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be performed in a well-ventilated area or a fume hood. Spills should be cleaned up using absorbent materials and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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