Androst-4-ene-3,11,17-trione

Basic Information

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CAS Number

382-45-6

Molecular Formula

C19H24O3

Molecular Weight

300.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

220.0 to 224.0 deg-C

Boiling Point

381.62°C (rough estimate)

Flash Point

206°C

Refractive Index

290 ° (C=0.2, EtOH)

Specific Rotation

300 º (c=1 in chloroform)

SMILES

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CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4=O)C

InChI

InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3/t13-,14-,17+,18-,19-/m0/s1

InChIKey

RZRPTBIGEANTGU-IRIMSJTPSA-N

LogP

3.2664000000000017

Topological Polar Surface Area

51.21 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

616

Synonyms & References

English

11-oxo4-androstene-3,17-dione
ADRENOSTERONE
AS-56448
11-Keto-androstenedione
AE4E9102GY
EINECS 206-843-2
(8S,9S,10R,13S,14S)-10,13-dimethyl-7,8,10,12,13,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,11,17(2H,6H,9H)-trione
bmse000522
Adrenosteron
Prestwick3_000899
(+)-Adrenosterone
(+/-)-Adrenosterone
4-Androstene-3,11,17-trione
MLS001146874
382-45-6
SPBio_002927
AKOS015919184
DTXSID801019311
(1S,2R,10S,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,14,17-trione
NSC-12166
HY-17462
Q4684756
SCHEMBL329751
Prestwick2_000899
793B9701-82B7-46F0-BDC7-04C33B82723A
CCG-220899
11-Ketoandrostenedione
11-Oxy-4-androstenedione
Adrenosterone (1.0mg/ml in Acetonitrile)
NS00042221
NSC 12166

MDL Number

MFCD00003606

Customs Code

2942000000

FAQ

What are the physical and chemical properties of Androst-4-ene-3,11,17-trione (CAS: 382-45-6)?

Androst-4-ene-3,11,17-trione (CAS: 382-45-6) is a steroidal compound. It is a white crystalline solid with a molecular weight of approximately 280.43 g/mol. The compound is sparingly soluble in water and more soluble in organic solvents like ethanol and acetone. It is relatively stable but can undergo hydrolysis under basic conditions. It is not highly reactive but can participate in hydrogenation reactions under mild conditions.

How is Androst-4-ene-3,11,17-trione (CAS: 382-45-6) typically synthesized?

Androst-4-ene-3,11,17-trione can be synthesized via various routes. One common method involves the reduction of androst-4-en-3-one to androst-4-ene, followed by a Claisen condensation with acetone to form the trione. The synthesis typically uses sodium borohydride for the reduction step and an appropriate base like sodium hydroxide for the condensation. The yield and selectivity are influenced by the conditions used.

What industries use Androst-4-ene-3,11,17-trione (CAS: 382-45-6)?

Androst-4-ene-3,11,17-trione is primarily used in the pharmaceutical industry for the production of steroid hormones and progestogens. It is also utilized in research applications, particularly in the development of new drugs and biochemical studies. Additionally, it can be employed in the polymer industry for synthesizing certain polymers and in the sensor and semiconductor industries for specialized applications.

What precautions should be taken when handling Androst-4-ene-3,11,17-trione (CAS: 382-45-6)?

When handling Androst-4-ene-3,11,17-trione (CAS: 382-45-6), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or under a fume hood to minimize inhalation risks. In case of a spill, it should be cleaned up immediately using appropriate absorbents and disposing of the waste according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed guidelines.