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Ethynodiol diacetate

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Identification
Molecular formula
C24H32O4
CAS number
297-76-7
IUPAC name
(8R,9S,13S,14S,17R)-3-(cyclopentoxy)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
State
State

At room temperature, Ethynodiol diacetate is generally found in a solid state. It typically requires dry and cool storage conditions to ensure its stability, particularly protected from moisture and light exposure.

Melting point (Celsius)
192.00
Melting point (Kelvin)
465.00
Boiling point (Celsius)
296.00
Boiling point (Kelvin)
569.00
General information
Molecular weight
324.44g/mol
Molar mass
324.4390g/mol
Density
1.1700g/cm3
Appearence

Ethynodiol diacetate typically presents as a white to off-white crystalline powder. It is odorless or may have a very slight smell. The compound is sensitive to air and light, requiring storage in conditions that protect it from these elements to maintain stability.

Comment on solubility

Solubility Characteristics

The solubility of this compound, known as (8R,9S,13S,14S,17R)-3-(cyclopentoxy)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol, is quite intriguing and may vary significantly based on several factors. Understanding its solubility is crucial for applications in pharmaceuticals and materials science.

Key Points on Solubility:

  • Solvent Dependence: The solubility in organic solvents might be enhanced due to the compound's hydrophobic nature, making it potentially soluble in nonpolar organic solvents such as hexane or toluene.
  • Temperature Influence: Like many organic compounds, it is hypothesized that solubility may increase with temperature, helping to dissolve more of the compound in a given solvent.
  • Structural Factors: The presence of functional groups like the cyclopentoxy and ethynyl groups may influence polarity, affecting solubility in polar vs nonpolar solvents.
  • pH Sensitivity: If there are acidic or basic functional groups, the pH of the solution could also play a role in the solubility behavior, particularly in aqueous environments.

In summary, the solubility of this compound is likely to be multifaceted, influenced by solvent type, temperature, structural features, and possibly pH. Therefore, thorough solubility studies in various environments are essential for optimal utilization in any scientific application.

Interesting facts

Interesting Facts about (8R,9S,13S,14S,17R)-3-(Cyclopentoxy)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol

This compound is a fascinating example of complex organic molecules that showcases the intricate relationship between chemical structure and biological function. Here are some engaging insights about this compound:

  • Synthetic Utility: The compound's unique structure, featuring a cyclopentoxy group and an ethynyl moiety, makes it an important target in synthetic organic chemistry. It often serves as a precursor for developing other biologically active compounds.
  • Stereochemistry: With multiple chiral centers, this compound's stereochemistry is critical for its biological activity. The specific orientation of the substituents can significantly influence how the molecule interacts with biological systems.
  • Potential Applications: Due to its structural characteristics, this compound may have potential applications in medicinal chemistry, particularly in the development of pharmaceutical agents targeting hormonal pathways or cancer therapies.
  • Biological Relevance: Research is ongoing to explore how compounds of this type could function as modulators in hormone receptors, affecting various physiological processes and diseases.
  • Analytical Techniques: Understanding the properties of this compound may involve advanced analytical techniques such as NMR spectroscopy, mass spectrometry, and X-ray crystallography, which provide valuable insights into its structure and behavior.

In summary, the complexity and potential applications of (8R,9S,13S,14S,17R)-3-(cyclopentoxy)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol make it a noteworthy compound in the field of organic chemistry.

Synonyms
QUINESTROL
152-43-2
Estrovis
Estrovister
Plestrovis
Eston
Estradiol-17-beta 3-cyclopentyl ether
Qui-Lea
Quinestrolum
EECPE
Estrovis 4000
Quinestrolo [DCIT]
Quinestrolo
Quinestrolum [INN-Latin]
17-alpha-Ethinylestradiol 3-cyclopentyl ether
Quilea
17alpha-Ethynylestradiol 3-cyclopentyl ether
W 3566
W-3566
UNII-JR0N7XD5GZ
JR0N7XD5GZ
EINECS 205-803-1
CHEBI:8716
(8R,9S,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
DTXSID6046553
3-(Cyclopentyloxy)-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yn-17-ol
NSC-759637
3-Cyclopentyloxy-17alpha-ethynylestra-1,3,5(10)-trien-17beta-ol
MLS000069756
DTXCID4026553
Quinestrol [USAN:USP:INN:BAN]
NSC 759637
NCGC00166146-01
SMR000058815
3-(cyclopentyloxy)-17beta-ethynylestra-1,3,5(10)-trien-17-ol
Quinestrolum (INN-Latin)
19-Nor-17-alpha-pregna-1,3,5(10)-trien-20-yn-17-ol, 3-(cyclopentyloxy)-
19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-(cyclopentyloxy)-, (17alpha)-
QUINESTROL (MART.)
QUINESTROL [MART.]
Quinestrol (USAN:USP:INN:BAN)
3-o-cyclopentyl-17alpha-ethinyl-estra-1,3,5(10)-triene-3,17beta-diol
17ALPHA-ETHYLNYL-1,3,5[10]ESTRATRIENE-3,17BETA-DIOL 3-CYCLOPENTYL ETHER
Estrovis (TN)
CAS-152-43-2
Quinestrol (USAN/INN)
Ethinyl Estradiol 3-Cyclopentyl Ether
Opera_ID_502
QUINESTROL [MI]
QUINESTROL [INN]
QUINESTROL [USAN]
QUINESTROL [VANDF]
QUINESTROL [WHO-DD]
MLS001077287
SCHEMBL221134
GTPL7097
CHEMBL1201165
QUINESTROL [ORANGE BOOK]
HMS2235A05
HY-B1012
Tox21_112340
LMST02010037
s3671
Ethynyl Estradiol-3-cyclopentyl ether
AKOS025310158
Ethinyl Estradiol 3 Cyclopentyl Ether
Tox21_112340_1
CCG-268221
CS-4525
DB04575
FQ35100
NCGC00166146-02
AS-13038
Q0091
C07619
C72888
D00576
EN300-25025313
SR-01000759180
Q3927871
SR-01000759180-3
3-(Cyclopentyloxy)-19-norpregna-1,3,5(10)-trien-20-yn-17.alpha.-ol
Estra-1(10),2,4-trien-17-ol, 3-(cyclopentyloxy)-17-ethynyl-, (17)-
19-NORPREGNA-1,3,5(10)-TRIEN-20-YN-17-OL, 3-(CYCLOPENTYLOXY)-, 17.ALPHA.
19-NORPREGNA-1,3,5(10)-TRIEN-20-YN-17-OL, 3-(CYCLOPENTYLOXY)-, 17alpha
(1R,3aS,3bR,9bS,11aS)-7-(cyclopentyloxy)-1-ethynyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ol
(1S,10R,11S,14R,15S)-5-(cyclopentyloxy)-14-ethynyl-15-methyltetracyclo[8.7.0.0?,?.0??,??]heptadeca-2,4,6-trien-14-ol
205-803-1