13258-68-9

Basic information

• Product Name: Ethynylestradiol Diacetate
• Synonyms: (17a)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol Diacetate;17a-Ethynylestradiol 3,17-Diacetate;19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol 3,17-Diacetate;Ethynylestradiol Diacetate;(17α)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol Diacetate;17α-Ethynylestradiol 3,17-Diacetate;tert-Butyl 3-broMopropanoate
• CAS NO: 13258-68-9
• Molecular Formula: C₂₄H₂₈O₄
• Molecular Weight: 380.48
• Product Categories: Chiral Reagents;Steroids
• Mol File: 13258-68-9.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 476.9°C at 760 mmHg
• Flash Point: 233°C
• Appearance: /
• Density: 1.18g/cm³
• Vapor Pressure: 2.94E-09mmHg at 25°C
• Refractive Index: 1.572
• Solubility: Dichloromethane, Ethyl Acetate, Methanol
• CAS DataBase Reference: Ethynylestradiol Diacetate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethynylestradiol Diacetate(13258-68-9)
• EPA Substance Registry System: Ethynylestradiol Diacetate(13258-68-9)

Safety Data

• Hazardous Substances Data: 13258-68-9(Hazardous Substances Data)

Usage

Chemical Properties

Off-White Solid

Uses

Ethynyl Estradiol Diacetate (cas# 13258-68-9) is a compound related to Ethynyl Estradiol (E685100), a synthetic steroid with high oral estrogenic potency.

InChI:InChI=1/C24H28O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,7,9,14,20-22H,6,8,10-13H2,2-4H3/t20-,21-,22+,23+,24+/m1/s1

Upstream product

• 57-63-6 ethinyl estradiol 
• 108-24-7 acetic anhydride 
• 108-22-5 Isopropenyl acetate 

Downstream Products

• 1667-98-7 3-hydroxy-19-norpregna-1,3,5⁽¹⁰⁾-trien-20-one 
• 38002-18-5 17α-ethynyl-3,17β-dihydroxyestra-1,3,5(10)-trien-6-one 
• 242130-33-2 methyl {(17β-acetoxy-17α-ethynyl-1,3,5[10]-estratrien-3-yl)-2,3,4-tri-O-acetyl-β-D-glucopyranosid}uronate 
• 21221-29-4 17β-acetoxy-17α-ethynyl-3-hydroxy-1,3,5[10]-estratriene 

Relevant articles and documents

Asymmetric organocatalytic synthesis of 2,3-allenamides from hydrogen-bond-stabilized enynamides

Asymmetric catalytic synthesis of 2,3-allenamides from hydrogen-bond-stabilized enynamides in the presence of quinine-based bifunctional squaramide organocatalysts is described. This protocol forms a variety of 2,3-allenamides in high yields and excellent

Base-Controlled Cu-Catalyzed Tandem Cyclization/Alkynylation for the Synthesis of Indolizines

A base-controlled Cu-catalyzed tandem cyclization/alkynylation of propargylic amines provides rapid access to functionalized indolizine derivatives under mild reaction conditions. The reaction first proceeded via a 5-endo-dig aminocupration, followed by a coupling between the copper-bound intermediate and alkynyl bromide, to afford the products in good to excellent yields. The successful tandem reaction is attributed to the unique property of the bases, DBU (1,8-diazabicyclo[5.4.0]undec-7-ene) and MTBD (7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene used).

A Novel Efficient Approach to the Synthesis of 6-Oxo Ethinylestradiol and its 3-Isopropanesulfonate

Ethinylestradiol (1) was converted into the corresponding 6-oxo derivative 7 by a short and simple procedure involving acetate 10 and ketone 11.Phase transfer catalyzed esterification of compound 7 with propane-2-sulfonyl chloride gave sulfonate 12.