3-Ethoxy-17-hydroxypregna-3,5-dien-20-one 17-acetate

Base Information

• Chemical Name: 3-Ethoxy-17-hydroxypregna-3,5-dien-20-one 17-acetate
• CAS No.: 16319-93-0
• Molecular Formula: C25H36O4
• Molecular Weight: 400.558
• European Community (EC) Number: 240-396-4
• Nikkaji Number: J22.714E
• Mol file: 16319-93-0.mol

Synonyms:16319-93-0;3-Ethoxy-17-hydroxypregna-3,5-dien-20-one 17-acetate;EINECS 240-396-4;17-(Acetyloxy)-3-ethoxy-pregna-3,5-dien-20-one;[(8R,9S,10R,13S,14S,17R)-17-acetyl-3-ethoxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate;Pregna-3,5-dien-20-one, 17-(acetyloxy)-3-ethoxy-;GLUPBNAYNWZRSJ-RFXJPFPRSA-N;AKOS030241131;CS-T-01069;17alpha-Acetoxy-3-ethoxypregna-3,5-dien-20-one;(17-Acetyl-3-ethoxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)acetate

Chemical Property of 3-Ethoxy-17-hydroxypregna-3,5-dien-20-one 17-acetate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 515.9°Cat760mmHg
• Flash Point: 220.8°C
• PSA: 52.60000
• Density: 1.11g/cm³
• LogP: 5.37040
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 400.26135963
• Heavy Atom Count: 29
• Complexity: 780

Purity/Quality:

99% ^*data from raw suppliers

17-(Acetyloxy)-3-ethoxy-pregna-3,5-dien-20-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC2=CCC3C(C2(CC1)C)CCC4(C3CCC4(C(=O)C)OC(=O)C)C
• Isomeric SMILES: CCOC1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]4([C@H]3CC[C@@]4(C(=O)C)OC(=O)C)C
• Uses: Intermediate in the preparation of Progesterone (P755900) impurity.

Technology Process of 3-Ethoxy-17-hydroxypregna-3,5-dien-20-one 17-acetate

There total 4 articles about 3-Ethoxy-17-hydroxypregna-3,5-dien-20-one 17-acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

hydroxyprogesterone acetate (4134-58-1,17308-02-0,41460-93-9,41460-97-3,630-56-8,302-23-8) + orthoformic acid triethyl ester (122-51-0) → 17-acetoxy-3-ethoxy-pregna-3,5-dien-20-one (16319-93-0)

Guidance literature:

With sulfuric acid; silica gel; In 1,4-dioxane; dichloromethane; for 1.5h; Ambient temperature;

DOI:10.1080/00397919408019058

Reference yield:

→ 3-Ethoxy-17α-acetoxy-20-oxo-pregnadien-(3,5)-on-(20) (16319-93-0)

Guidance literature:

Reference yield:

→ 3-Ethoxy-17α-acetoxy-pregna-3,5-dien-20-on (16319-93-0)

Guidance literature:

Aus 17-Acetoxyprogesteron;

upstream raw materials:

hydroxyprogesterone acetate

orthoformic acid triethyl ester

Downstream raw materials:

17-acetoxy-6α-chloro-pregna-1,4-diene-3,20-dione

chlormadinone acetate

17α-acetoxy-6α-chloropregn-4-ene-3,20-dione

gestovis

Refernces

• 1、 Chavez,Suarez,Diaz. "Sulfuric acid adsorbed on silica gel. A multipurpose acid catalyst". . p. 2325 - 2339. Retrieved 2007/10/02.