9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate

Base Information

Chemical Name:9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate
CAS No.:24320-15-8
Molecular Formula:C23H31 Br O5
Molecular Weight:467.4
Hs Code.:
DSSTox Substance ID:DTXSID10947154
Mol file:24320-15-8.mol

Synonyms:9-bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate;DTXSID10947154

Suppliers and Price of 9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate

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 5 raw suppliers

Chemical Property of 9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate

Chemical Property:

Melting Point:133-138 °C
Boiling Point:563°Cat760mmHg
PKA:13.24±0.70(Predicted)
Flash Point:294.3°C
PSA：80.67000
Density:1.39g/cm³
LogP:3.89750
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:466.13549
Heavy Atom Count:29
Complexity:820

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)CCC43C)Br)O)C)OC(=O)C

Technology Process of 9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate

There total 2 articles about 9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl 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:

: 24320-15-8
9α-Brom-11β-hydroxy-17α-acetoxy-3,20-dioxo-pregnen-(4)

Guidance literature:: 9α-Brom-11β,17α-dihydroxy-4-pregnen-3,20-dion, Ac2O/HOAc, p-TosOH;

Reference yield:

: 5106-48-9
17-acetoxy-pregna-4,9⁽¹¹⁾-diene-3,20-dione

: 24320-15-8
17-acetoxy-9-bromo-11β-hydroxy-pregn-4-ene-3,20-dione

Guidance literature:: DOI:10.1021/ja01525a082

Reference yield:

: 24320-15-8
17-acetoxy-9-bromo-11β-hydroxy-pregn-4-ene-3,20-dione

: 2529-45-5
fluorogestone acetate

Guidance literature:: Multi-step reaction with 2 steps

1: sodium carbonate; water containing tetrahydrofuran

2: HF

With tetrahydrofuran; hydrogen fluoride; sodium carbonate;
DOI:10.1021/ja01525a082