Pregna-4,6-diene-3,20-dione

Basic Information

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CAS Number

1162-56-7

Molecular Formula

C21H28O2

Molecular Weight

312.45 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

Melting Point

144.0 to 148.0 deg-C

SMILES

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CC(=O)C1CCC2C1(CCC3C2C=CC4=CC(=O)CCC34C)C

InChI

InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1

InChIKey

JGMOKGBVKVMRFX-LEKSSAKUSA-N

LogP

4.499500000000004

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

628

Synonyms & References

English

Pregna-4,6-diene-3,20-dione (Delta6-Progesterone)
BCP18804
Q27277145
4,6-Pregnadiene-3,20-dione
Delta-6-progesterone
6-Dehydropregesteron
AS-15619
6-Dehydroprogesterone
PROGESTERONE IMPURITY H [EP IMPURITY]
AC-4529
.delta.6-Progesterone
SCHEMBL606817
UNII-EF38VA583P
Pregna-4,6-diene-3,20-dione (?6-Progesterone)
EF38VA583P
MFCD00199858
P2623
A803583
Dydrogesterone impurity B
Pregna-4,6-diene-3,20-dione
delta6-Progesterone
CHEMBL4101936
CS-0155158
1162-56-7
J-524052
AKOS015902046
JGMOKGBVKVMRFX-LEKSSAKUSA-N
(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
DYDROGESTERONE IMPURITY B [EP IMPURITY]
Dehydroprogesterone
6-DEHYDROPROGESTERONE

MDL Number

MFCD00199858

FAQ

What are the physical and chemical properties of Pregna-4,6-diene-3,20-dione (CAS: 1162-56-7)?

Pregna-4,6-diene-3,20-dione (CAS: 1162-56-7) is a colorless or white crystalline solid with a molecular weight of 282.37 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can undergo reactions such as hydrolysis and oxidation under certain conditions.

How is Pregna-4,6-diene-3,20-dione (CAS: 1162-56-7) typically synthesized?

Pregna-4,6-diene-3,20-dione can be synthesized via the Diels-Alder reaction between maleic anhydride and 20-dehydrocholesterol. The reaction is catalyzed by Lewis acids such as boron trifluoride. The yield and selectivity are high, making it a common method for industrial production.

What industries use Pregna-4,6-diene-3,20-dione (CAS: 1162-56-7)?

Pregna-4,6-diene-3,20-dione is primarily used in the pharmaceutical industry as an intermediate in the synthesis of steroid drugs. It is also utilized in the production of certain polymers and in the development of sensors for detecting specific biological compounds.

What precautions should be taken when handling Pregna-4,6-diene-3,20-dione (CAS: 1162-56-7)?

When handling Pregna-4,6-diene-3,20-dione, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a fume hood to minimize exposure. Spills should be cleaned up using appropriate methods, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.