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

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

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Basic Information

Molecular Formula
C20H26O3
Molecular Weight
314.43 g/mol

Physical Properties

Melting Point
106.0 to 110.0 deg-C
Boiling Point
457.4 °C at 760 mmHg
Flash Point
200.6 °C

Chemical Identifiers

SMILES
CC(=O)OC1CCC2C1(CCC3C2C=CC4=CC(=O)CCC34)C
InChIKey
OGUASZAAVFYYIL-XGXHKTLJSA-N

Database References

MDL Number
MFCD00271529

FAQ

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.
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.
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.
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.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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