120812-01-3

Basic information

• Product Name: (8R,9S,13S,14S)-3-(2-phenylethynyl)estra-1,3,5⁽¹⁰⁾-trien-17-one
• Synonyms: (8R,9S,13S,14S)-3-(2-phenylethynyl)estra-1,3,5⁽¹⁰⁾-trien-17-one
• CAS NO: 120812-01-3
• Molecular Weight: 354.492
• Mol File: 120812-01-3.mol

Chemical Properties

• CAS DataBase Reference: (8R,9S,13S,14S)-3-(2-phenylethynyl)estra-1,3,5⁽¹⁰⁾-trien-17-one(CAS DataBase Reference)
• NIST Chemistry Reference: (8R,9S,13S,14S)-3-(2-phenylethynyl)estra-1,3,5⁽¹⁰⁾-trien-17-one(120812-01-3)
• EPA Substance Registry System: (8R,9S,13S,14S)-3-(2-phenylethynyl)estra-1,3,5⁽¹⁰⁾-trien-17-one(120812-01-3)

Safety Data

• Hazardous Substances Data: 120812-01-3(Hazardous Substances Data)

Upstream product

• 369-57-3 benzenediazonium tetrafluoroborate 
• 62-53-3 aniline 
• 536-74-3 phenylacetylene 
• 92817-04-4 estrone triflate 
• 53-16-7 Estrone 

Relevant articles and documents

Copper-free palladium-catalyzed Sonogashira and Hiyama cross-couplings using aryl imidazol-1-ylsulfonates

Aryl imidazylates are effective electrophilic partners in copper-free palladium-catalyzed Hiyama and Sonogashira cross-coupling reactions. The Sonogashira cross-coupling of estron-3-yl imidazylate afforded the corresponding phenylacetylene derivative in e

Rhodium(II)-Catalyzed Synthesis of N-Aryl-N′-tosyldiazenes from Primary Aromatic Amines Using (Tosylimino)aryliodinane: A Potent Stable Surrogate for Diazonium Salts

A single-step synthesis of N-aryl-N′-tosyldiazenes from primary aromatic amines was developed. A wide range of aromatic amines provided the corresponding products in high yields by N–N bond formation with RhII–nitrene intermediates, which were generated in situ from dirhodium(II) complex catalysts and (tosylimino)-2,4,6-trimethylphenyliodinane, followed by oxidation. The synthesized N-aryl-N′-tosyldiazenes were successfully demonstrated to serve as potent and stable surrogates for diazonium salts in the two-step deaminative transformation of primary aromatic amines.

Synthesis and phosphatase inhibitory activity of 3-alkynylestrones and their derivatives

A range of 3-alkynylated 3-deoxy-estrones were prepared by Sonogashira reactions and transformed into estrone derived diones and quinoxalines. The alkynylated estrones and their derivatives exhibit significant biological activity as alkaline phosphatase inhibitors. The mode of action was illustrated based on docking studies.

Ligand-Assisted Gold-Catalyzed Cross-Coupling with Aryldiazonium Salts: Redox Gold Catalysis without an External Oxidant

Gold-catalyzed C(sp)-C(sp2) and C(sp2)-C(sp2) cross-coupling reactions are accomplished with aryldiazonium salts as the coupling partner. With the assistance of bpy ligand, gold(I) species were oxidized to gold(III) by diazonium without any external oxidants. Monitoring the reaction with NMR and ESI-MS provided strong evidence for the nitrogen extrusion followed by AuIII reductive elimination as the key step.

One-Pot Conversion of Phenols to Arenes

In the presence of a fluoroalkanesulfonyl fluoride and a catalytic amount of bis(triphenylphosphine)palladium dichloride, phenols reacted with triethylammonium formate in triethylamine to give arenes.Similarly, phenols reacted with alkynes or alkenes in triethylamine providing alkynyl- or alkenylarenes, respectively.