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(17beta)-3-Hydroxyestra-1,3,5(10)-trien-17-yl heptanoate(CAS: 4956-37-0)

(17beta)-3-Hydroxyestra-1,3,5(10)-trien-17-yl heptanoate
CAS Number

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Basic Information

Molecular Formula
C25H36O3
Molecular Weight
384.56 g/mol
Physical State
Powder

Physical Properties

Melting Point
107.0 to 111.0 deg-C
Boiling Point
509.5°C at 760 mmHg
Density
1.11 g/cm 3
Flash Point
197.1 oC

Chemical Identifiers

SMILES
CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C
InChIKey
RFWTZQAOOLFXAY-BZDYCCQFSA-N

Database References

MDL Number
MFCD00056542

FAQ

(17beta)-3-Hydroxyestra-1,3,5(10)-trien-17-yl heptanoate is a crystalline compound with a molecular weight of approximately 324.41 g/mol. It is sparingly soluble in water but soluble in organic solvents such as ethanol and acetone. Chemically, it exhibits moderate reactivity towards basic conditions, making it sensitive to hydrolysis. Its stability is enhanced by storage in a dry and cool environment.
(17beta)-3-Hydroxyestra-1,3,5(10)-trien-17-yl heptanoate is typically synthesized via a multi-step process involving the esterification of 17beta-hydroxyestra-1,3,5(10)-trien-17-one with heptanoic acid. Commonly, a Lewis acid catalyst such as boron trifluoride etherate is used to promote the reaction, which yields a 90% selectivity and a 75% overall yield. The product is purified through recrystallization from ethanol.
(17beta)-3-Hydroxyestra-1,3,5(10)-trien-17-yl heptanoate is primarily used in the pharmaceutical industry as an intermediate in the synthesis of certain hormones and hormone-related drugs. It is also explored for use in sensor technology, where its specific reactivity can be utilized for detecting certain analytes.
When handling (17beta)-3-Hydroxyestra-1,3,5(10)-trien-17-yl heptanoate, it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of a spill, it should be carefully cleaned up using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed emergency procedures.

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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