33300-19-5

Basic information

• Product Name: Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one
• Synonyms: Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one;Cyanohydrin Ketal Cyanohydrin Ketal;(17alpha)-3,3-[1,2-Ethanediylbis(oxy)]-17-hydroxyestra-5(10),9(11)-diene-17-carbonitrile;17-Hydroxy-3-oxoestra-5(10),9(11)-diene-17beta-carbonitrile cyclic ethylene acetal;(17α)-3,3-[1,2-Ethanediylbis(oxy)]-17-hydroxyestra-5(10),9(11)-diene-17-carbonitrile;cyclic-3-(1,2-ethanediylacetal)-17-cyano-17-hydroxy-estra-5(10),9(11)-dien-3-one;(8S,13S,14S,17R)-17-hydroxy-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-carbonitrile;Cyclic-3-(1,2-Ethanediylacetal-17Β-Cyano-17Α-Hydroxy-19-Norpregna-5(10,9(11-DieN-3-One
• CAS NO: 33300-19-5
• Molecular Formula: C21H27NO3
• Molecular Weight: 341.44398
• Mol File: 33300-19-5.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 553.2±50.0 °C(Predicted)
• Appearance: /
• Density: 1.25
• PKA: 11.12±0.40(Predicted)
• CAS DataBase Reference: Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one(CAS DataBase Reference)
• NIST Chemistry Reference: Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one(33300-19-5)
• EPA Substance Registry System: Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one(33300-19-5)

Safety Data

• Hazardous Substances Data: 33300-19-5(Hazardous Substances Data)

Usage

Description

Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one, also known as (17α)-3,3-[1,2-Ethanediylbis(oxy)]-17-hydroxyestra-5(10),9(11)-diene-17-carbonitrile, is a chemical compound derived from the estrane steroid core. It is characterized by its unique cyclic structure and the presence of a cyano group at the 17beta position, as well as a hydroxy group at the 17alpha position. Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one serves as a crucial intermediate in the synthesis of various pharmaceuticals due to its structural and functional properties.

Uses

Used in Pharmaceutical Industry:
Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one is used as a key intermediate in the synthesis of Ulipristal Acetate (U700810), a selective progesterone receptor modulator. This application is significant because Ulipristal Acetate is utilized in the treatment of moderate to severe symptoms of uterine fibroids and for emergency contraception.
Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one's role in the synthesis of Ulipristal Acetate highlights its importance in the development of medications that address significant health concerns, particularly in the areas of reproductive health and hormone regulation. Its unique structural features allow for the creation of pharmaceuticals with targeted effects, making it a valuable asset in the pharmaceutical industry.