17,21-Bis(acetyloxy)pregna-4,9(11)-diene-3,20-dione

Base Information

Chemical Name:17,21-Bis(acetyloxy)pregna-4,9(11)-diene-3,20-dione
CAS No.:7780-63-4
Molecular Formula:C25H32O6
Molecular Weight:428.525
Hs Code.:
European Community (EC) Number:616-506-5
DSSTox Substance ID:DTXSID501222208
Nikkaji Number:J195.950F
Mol file:7780-63-4.mol

Synonyms:SCHEMBL8999989;DTXSID501222208;7780-63-4;17,21-Bis(acetyloxy)pregna-4,9(11)-diene-3,20-dione

Suppliers and Price of 17,21-Bis(acetyloxy)pregna-4,9(11)-diene-3,20-dione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of 17,21-Bis(acetyloxy)pregna-4,9(11)-diene-3,20-dione

Chemical Property:

PSA：86.74000
LogP:3.87250
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:428.21988874
Heavy Atom Count:31
Complexity:913

Purity/Quality:: 99.9% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OCC(=O)C1(CCC2C1(CC=C3C2CCC4=CC(=O)CCC43C)C)OC(=O)C
Isomeric SMILES:CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)CC[C@@]43C)C)OC(=O)C

Technology Process of 17,21-Bis(acetyloxy)pregna-4,9(11)-diene-3,20-dione

There total 7 articles about 17,21-Bis(acetyloxy)pregna-4,9(11)-diene-3,20-dione 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:

: 7753-60-8
anecortave

: 64-19-7,77671-22-8
acetic acid

: 7780-63-4
pregna-4,9(11)-diene-17α,21-diol-3,20-dione 17,21-diacetate

Guidance literature:: anecortave; acetic acid; With toluene-4-sulfonic acid; trifluoroacetic anhydride; In dichloromethane; at 20 ℃; for 2.5h;

With ammonium hydroxide; In dichloromethane; for 0.25h;
DOI:10.2174/1386207323666200219122644

Reference yield:

: 1035-69-4
androst-4,9⁽¹¹⁾-dien-3,17-dione

: 7780-63-4
pregna-4,9(11)-diene-17α,21-diol-3,20-dione 17,21-diacetate

Guidance literature:: Multi-step reaction with 4 steps

1.1: acetone / 0.5 h / 20 °C

2.1: calcium oxide; calcium chloride; iodine / methanol; dichloromethane; water / 1.5 h / 20 °C / Inert atmosphere

3.1: potassium acetate / N,N-dimethyl-formamide / 2 h / 65 °C / Inert atmosphere

3.2: 0.5 h / Inert atmosphere

4.1: toluene-4-sulfonic acid; trifluoroacetic anhydride / dichloromethane / 2.5 h / 20 °C

4.2: 0.25 h

With iodine; potassium acetate; toluene-4-sulfonic acid; trifluoroacetic anhydride; calcium chloride; calcium oxide; In methanol; dichloromethane; water; N,N-dimethyl-formamide; acetone;
DOI:10.2174/1386207323666200219122644

Reference yield:

: 560-62-3,23015-99-8
9-alpha-hydroxyandrost-4-ene-3,17-dione

: 7780-63-4
pregna-4,9(11)-diene-17α,21-diol-3,20-dione 17,21-diacetate

Guidance literature:: Multi-step reaction with 4 steps

1.1: diethyl ether / 0.5 h / 20 °C

2.1: calcium oxide; calcium chloride; iodine / methanol; dichloromethane; water / 1.5 h / 20 °C / Inert atmosphere

3.1: potassium acetate / N,N-dimethyl-formamide / 2 h / 65 °C / Inert atmosphere

3.2: 0.5 h / Inert atmosphere

4.1: toluene-4-sulfonic acid; trifluoroacetic anhydride / dichloromethane / 2.5 h / 20 °C

4.2: 0.25 h

With iodine; potassium acetate; toluene-4-sulfonic acid; trifluoroacetic anhydride; calcium chloride; calcium oxide; In methanol; diethyl ether; dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.2174/1386207323666200219122644