17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione

Basic Information

View in Editor

CAS Number

3562-63-8

Molecular Formula

C22H30O3

Molecular Weight

342.48 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

SMILES

View in Editor

CC1=CC2C(CCC3(C2CCC3(C(=O)C)O)C)C4(C1=CC(=O)CC4)C

InChI

InChI=1S/C22H30O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h11-12,16-18,25H,5-10H2,1-4H3/t16-,17+,18+,20-,21+,22+/m1/s1

InChIKey

VXIMPSPISRVBPZ-NWUMPJBXSA-N

LogP

4.004500000000004

Topological Polar Surface Area

54.37 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

717

Synonyms & References

English

Megestrolo
MS-25250
HSDB 3233
C07120
DTXSID001009330
D08167
G03DB02
MEGESTROL [HSDB]
AC-32473
Chronopil (TN)
Megestrol [INN:BAN]
GTPL9128
Chronopil
CHEBI:6722
CS-0013903
EINECS 222-628-6
Pregna-4,6-diene-3,20-dione, 17-hydroxy-6-methyl-; 17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione; Megestrol; 6-Methyl-17-hydroxypregna-4,6-diene-3,20-dione
Megestrol (Acetate)
(8R,9S,10R,13S,14S,17R)-17-Acetyl-17-hydroxy-6,10,13-trimethyl-8,9,10,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
MEGESTROL [WHO-DD]
L02AB01
Megestrolum
UNII-EA6LD1M70M
MEGESTROL [INN]
Pregna-4,6-diene-3,20-dione, 17-hydroxy-6-methyl-
Q410513
EA6LD1M70M
Megestrol (INN)
Compound 5071
3562-63-8
CHEMBL4071215

MDL Number

MFCD01939877

FAQ

What are the physical and chemical properties of 17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione (CAS: 3562-63-8)?

17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione is a crystalline compound with a molecular weight of approximately 388.45 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can react with strong acids or bases under certain conditions. Its reactivity is influenced by its specific functional groups.

How is 17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione (CAS: 3562-63-8) typically synthesized?

17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione can be synthesized through a series of reactions including the introduction of a methyl group and subsequent hydroxylation. Commonly, this involves the use of methyl iodide or bromide followed by a suitable hydroxylation catalyst such as sodium hydride or a peracid. The reaction is typically conducted in an inert solvent like dichloromethane under anhydrous conditions.

What industries use 17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione (CAS: 3562-63-8)?

17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione is primarily used in the pharmaceutical industry for the synthesis of steroidal compounds. It also finds applications in the production of certain agricultural chemicals and in the development of certain polymers. Its versatility makes it valuable in various chemical and biological research contexts.

What precautions should be taken when handling 17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione (CAS: 3562-63-8)?

When handling 17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione, it is important to use 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, it should be carefully cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety instructions.