2787-02-2

Basic information

• Product Name: 17alpha-hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one
• Synonyms: 17alpha-hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one;(17R)-17-Hydroxy-2-hydroxymethylenepregn-4-en-20-yn-3-one;Einecs 220-513-5;(17α)-17-Hydroxy-2-(hydroxyMethylene)-pregn-4-en-20-yn-3-one
• CAS NO: 2787-02-2
• Molecular Formula: C₂₂H₂₈O₃
• Molecular Weight: 340.45592
• EINECS: 220-513-5
• Product Categories: Intermediates & Fine Chemicals;Pharmaceuticals;Steroids;Pharmaceuticals, Intermediates & Fine Chemicals, Steroids
• Mol File: 2787-02-2.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 499.3°Cat760mmHg
• Flash Point: 269.9°C
• Appearance: /
• Density: 1.21g/cm³
• CAS DataBase Reference: 17alpha-hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one(CAS DataBase Reference)
• NIST Chemistry Reference: 17alpha-hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one(2787-02-2)
• EPA Substance Registry System: 17alpha-hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one(2787-02-2)

Safety Data

• Hazardous Substances Data: 2787-02-2(Hazardous Substances Data)

Usage

Chemical Properties

Beige Solid

Upstream product

• 24594-68-1 3-ethoxy-17α-ethynylandrosta-3,5-dien-17β-ol-3-one 
• 434-03-7 levonorgestrel 
• 109-94-4 formic acid ethyl ester 
• 63-05-8 Androstenedione 
• 972-46-3 3-ethoxyandrosta-3,5-dien-17-one 
• 107-31-3 Methyl formate 

Downstream Products

• 144177-32-2 Win 62577 
• 2787-03-3 17α-ethynyl-17β-hydroxy-2α-hydroxymethyl-4-androsten-3-one 
• 17230-88-5 danazol 

Relevant articles and documents

Process for the preparation of danazol

The invention discloses preparation methods of danazol and an intermediate thereof. The preparation method of danazol is prepared by the steps of taking androstenedione as a starting raw material, and carrying out 3-site enol etherification, 17-site carbonyl ethinylation, 3-site hydrolysis, 2-site methylidynel hydroxylation and oximation to obtain danazol. The 3-site enol etherification comprises firstly carrying out a reaction of androstenedione and triethyl orthoformate for 4-10 h in the presence of absolute ethyl alcohol and p-toluenesulfonic acid and at the temperature of 30-50 DEG C, then adding triethylamine at the temperature of 0-10 DEG C, and continuing to carry out a reaction for 0.2-1 h; the 17-site carbonyl ethinylation comprises firstly carrying out a reaction of a potassium hydroxide powder for 1-2 h in an acetylene airflow and at the temperature of 5-10 DEG C, and then carrying out a reaction with the 3-site enol etherified product for 2-4 h in the presence of tetrahydrofuran and a catalyst, at the temperature of 15-30 DEG C and in the acetylene airflow. The 3-site enol etherification is mild in reaction conditions and relatively high in yield, and the 17-site carbonyl ethynylation is relatively high in reaction yield and relatively short in time.