(17beta)-3-Oxoestra-4,6-dien-17-yl acetate

Basic Information

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CAS Number

2590-41-2

Molecular Formula

C20H26O3

Molecular Weight

314.43 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

106.0 to 110.0 deg-C

Boiling Point

457.4 °C at 760 mmHg

Flash Point

200.6 °C

Refractive Index

1.559

Specific Rotation

-39° (c=1g/100mL; chloroform)

SMILES

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CC(=O)OC1CCC2C1(CCC3C2C=CC4=CC(=O)CCC34)C

InChI

InChI=1S/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h3,5,11,15-19H,4,6-10H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1

InChIKey

OGUASZAAVFYYIL-XGXHKTLJSA-N

LogP

3.835900000000003

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

602

Safety Information

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GHS Hazard Pictograms

H361

Hazard Statement

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Synonyms & References

English

(17 beta)-17-(acetyloxy)estra-4,6-dien-3-one
[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,8,9,10,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
(17beta)-3-Oxoestra-4,6-dien-17-yl acetate
DTXSID001335321
AS-13040
AKOS015895689
dehydronandrolon
Dehydronandrolon acetate
Q-102810
(17beta)-17-(acetyloxy)estra-4,6-diene-3-one
Estra-4,6-dien-3-one, 17-(acetyloxy)-, (17b)-
17b-Acetyloxy-estra-4,6-diene-3-one
OGUASZAAVFYYIL-XGXHKTLJSA-N
BCP10927
6-Dehydronandrolone acetate
17beta-acetoxy-estra-4,6-dien-3-one
(17beta)-17-(acetyloxy)estra-4,6-dien-3-one
SCHEMBL3750546
2590-41-2
AC-28398
MFCD00271529
Dehydronandrolon
6-Dehydronandrolone Acetate
17-Acetoxyestra-4,6-dien-3-one
DEHYDRONANDROLONE
17β-Acetoxyestra-4,6-dien-3-one
6-Dehydro Nandrolone Acetate
AK124380
ST24045338
590D412

MDL Number

MFCD00271529

Customs Code

2914400090

FAQ

What are the physical and chemical properties of (17beta)-3-Oxoestra-4,6-dien-17-yl acetate (CAS: 2590-41-2)?

The compound (17beta)-3-Oxoestra-4,6-dien-17-yl acetate has a crystalline form at room temperature. Its molecular weight is approximately 298.4 g/mol. It is slightly soluble in water but readily soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can undergo hydrolysis in the presence of strong acids or bases. It does not exhibit significant reactivity towards common functional group transformations without appropriate conditions.

How is (17beta)-3-Oxoestra-4,6-dien-17-yl acetate (CAS: 2590-41-2) typically synthesized?

The compound (17beta)-3-Oxoestra-4,6-dien-17-yl acetate is typically synthesized through esterification of 17-oxoestradi-1,3,5(10)-trien-17-ol with acetic anhydride in the presence of a catalytic amount of a strong acid like sulfuric acid. This reaction requires careful temperature control to achieve high yield and selectivity. The purity of the final product can be confirmed using GC-MS or HPLC analysis.

What industries use (17beta)-3-Oxoestra-4,6-dien-17-yl acetate (CAS: 2590-41-2)?

The compound (17beta)-3-Oxoestra-4,6-dien-17-yl acetate is primarily used in the pharmaceutical industry as a precursor for hormone synthesis. It also finds applications in the production of certain types of polymers and as a reagent in organic synthesis for research purposes. Its use in the semiconductor industry is limited due to its biological nature, but it can be utilized in the development of biosensors.

What precautions should be taken when handling (17beta)-3-Oxoestra-4,6-dien-17-yl acetate (CAS: 2590-41-2)?

When handling (17beta)-3-Oxoestra-4,6-dien-17-yl acetate, it is crucial to wear appropriate personal protective equipment (PPE), including gloves, lab coat, and safety glasses. The compound should be stored in a cool, dry place away from heat and ignition sources. Fume hoods should be used when performing operations that may release vapors. In case of a spill, it should be cleaned up immediately using appropriate absorbents, and the area should be well-ventilated. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.