1428-66-6

Basic information

• Product Name: {[17-oxoestra-1,3,5(10)-trien-3-yl]oxy}acetic acid
• Synonyms: ((17-oxoestra-1,3,5(10)-trien-3-yl)oxy)acetic acid
• CAS NO: 1428-66-6
• Molecular Formula: C₂₀H₂₄O₄
• Molecular Weight: 328.4022
• Mol File: 1428-66-6.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 516.1°C at 760 mmHg
• Flash Point: 184.4°C
• Density: 1.221g/cm³
• Vapor Pressure: 1.77E-11mmHg at 25°C
• Refractive Index: 1.576
• CAS DataBase Reference: {[17-oxoestra-1,3,5(10)-trien-3-yl]oxy}acetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: {[17-oxoestra-1,3,5(10)-trien-3-yl]oxy}acetic acid(1428-66-6)
• EPA Substance Registry System: {[17-oxoestra-1,3,5(10)-trien-3-yl]oxy}acetic acid(1428-66-6)

Safety Data

• Hazardous Substances Data: 1428-66-6(Hazardous Substances Data)

Usage

General Description

The chemical compound {[17-oxoestra-1,3,5(10)-trien-3-yl]oxy}acetic acid is a synthetic derivative of the hormone estrogen. It is classified as an estrogenic compound, and its structure resembles that of the naturally occurring hormone estradiol. The compound is used in scientific research and pharmaceutical development to study the effects of estrogen on various biological processes. Its ability to mimic the actions of estrogen makes it useful in studying hormone-related diseases and developing potential treatments. Additionally, its acetic acid moiety allows for the compound to be attached to other molecules, potentially increasing its efficacy and specificity in targeting specific cellular pathways or receptors.

Upstream product

• 53-16-7 Estrone 
• 105-36-2 ethyl bromoacetate 
• 41164-32-3 3-ethyloxycarbonylmethylenoxyestrone 
• 79-11-8 chloroacetic acid 
• 105-39-5 chloroacetic acid ethyl ester 
• 623-73-4 diazoacetic acid ethyl ester 

Downstream Products

• 388086-26-8 C₄₉H₅₄Cl₂N₆O₉ 
• 1166993-63-0 estrone-3-O-methylcarbonyl-Arg(NO₂)-Gly-Asp(Bzl)-Val-Arg(NO₂)-Gly-Asp(Bzl)-Val-OBzl 
• 1166993-64-1 estrone-3-O-methylcarbonyl-Arg(NO₂)-Gly-Asp(Bzl)-Phe-Arg(NO₂)-Gly-Asp(Bzl)-Phe-OBzl 
• 41164-36-7 2-<(17β-Hydroxyestra-1,3,5(10)-trien-3-yl)oxy>acetic Acid 
• 501083-17-6 estrone-3-O-CH₂CO-Tyr(2,6-dichlorobenzyl)-Gly-Gly-Phe-Leu-NH₂ 
• 501083-16-5 estrone-3-O-CH₂CO-Tyr(2,6-dichlorobenzyl)-Gly-Gly-Phe-Leu-OMe 
• 521060-85-5 C₅₅H₆₆Cl₂N₆O₉ 
• 501083-26-7 C₅₅H₆₆Cl₂N₆O₉ 
• 501083-25-6 C₅₆H₆₇Cl₂N₅O₁₀ 
• 501083-31-4 C₅₂H₅₉Cl₂N₅O₁₀ 
• 501083-32-5 C₅₁H₅₈Cl₂N₆O₉ 
• 501083-43-8 C₄₉H₆₃N₅O₁₀ 
• 501083-40-5 {2-[2-(2-{3-(4-hydroxy-phenyl)-2-[2-(13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yloxy)-acetylamino]-propionylamino}-acetylamino)-acetylamino]-3-phenyl-propionylamino}-acetic acid methyl ester 

Relevant articles and documents

(Trifluoromethylselenyl)methylchalcogenyl as Emerging Fluorinated Groups: Synthesis under Photoredox Catalysis and Determination of the Lipophilicity

The synthesis of molecules bearing (trifluoromethylselenyl)methylchalcogenyl groups is described via an efficient two-step strategy based on a metal-free photoredox catalyzed decarboxylative trifluoromethylselenolation with good yields up to 88 %, which raised to 98 % in flow chemistry conditions. The flow methods allowed also to scale up the reaction. The mechanism of this key reaction was studied. The physicochemical characterization of these emerging groups was performed by determining their Hansch–Leo lipophilicity parameters with high values up to 2.24. This reaction was also extended to perfluoroalkylselenolation with yields up to 95 %. Finally, this method was successfully applied to the functionalization of relevant bioactive molecules such as tocopherol or estrone derivatives.

Direct C-F bond formation using photoredox catalysis

We have developed the first example of a photoredox catalytic method for the formation of carbon-fluorine (C-F) bonds. The mechanism has been studied using transient absorption spectroscopy and involves a key single-electron transfer from the 3MLCT (triplet metal-to-ligand charge transfer) state of Ru(bpy)32+ to Selectfluor. Not only does this represent a new reaction for photoredox catalysis, but the mild reaction conditions and use of visible light also make it a practical improvement over previously developed UV-mediated decarboxylative fluorinations.

3D QSAR of novel estrogen-RGD peptide conjugates: Getting insight into structural dependence of anti-osteoporosis activity and side effect of estrogen in ERT

To explore the structural dependence of the oral potency and side effect of estrogen-RGD peptide conjugates, here six novel conjugates were prepared via introducing RGD-tetrapeptides into both 3- and 17-positions of estradiol, and introducing RGD-octapept