Pregnane-11,20-dione, 21-bromo-3,17-dihydroxy-, (3beta,5alpha)-

Base Information

Chemical Name:Pregnane-11,20-dione, 21-bromo-3,17-dihydroxy-, (3beta,5alpha)-
CAS No.:20703-79-1
Molecular Formula:C21H31BrO4
Molecular Weight:427.379
Hs Code.:
NSC Number:88181

Synonyms:NSC88181;3.beta.,20-dione;NSC-88181;20703-79-1;5.alpha.-Pregnane-11, 21-bromo-3.beta.,17.alpha.-dihydroxy-;Pregnane-11, 21-bromo-3,17-dihydroxy-, (3.beta.,5.alpha.)-

Suppliers and Price of Pregnane-11,20-dione, 21-bromo-3,17-dihydroxy-, (3beta,5alpha)-

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 Pregnane-11,20-dione, 21-bromo-3,17-dihydroxy-, (3beta,5alpha)-

Chemical Property:

Vapor Pressure:2.37E-14mmHg at 25°C
Boiling Point:549.2°C at 760 mmHg
Flash Point:286°C
Density:1.389g/cm³
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:426.14057
Heavy Atom Count:26
Complexity:636

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4(C(=O)CBr)O)C)O
Isomeric SMILES:C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CBr)O)C)O

Technology Process of Pregnane-11,20-dione, 21-bromo-3,17-dihydroxy-, (3beta,5alpha)-

There total 7 articles about Pregnane-11,20-dione, 21-bromo-3,17-dihydroxy-, (3beta,5alpha)- 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:

: 570-39-8,570-40-1,641-78-1,56193-64-7,570-38-7
(3β,5α)-3,17-dihydroxypregnane-11,20-dione

: 20703-79-1
21-bromo-3β,17-dihydroxy-5α-pregnane-11,20-dione

Guidance literature:: With bromine;
DOI:10.1021/ja01142a022 DOI:10.1021/ja01610a038

Reference yield:

: 565-99-1,566-00-7,16472-72-3,23930-19-0,82597-79-3,102849-04-7,600-59-9
UC₁₀₁₇

: 20703-79-1
21-bromo-3β,17-dihydroxy-5α-pregnane-11,20-dione

Guidance literature:: Multi-step reaction with 2 steps

1: toluene-4-sulfonic acid / nachfolgende Umsetzung mit Peroxybenzoesaeure und mit wss.-aethanol.KOH

2: bromine

With bromine; toluene-4-sulfonic acid;
DOI:10.1021/ja01610a038

Reference yield:

: 2724-68-7
3β-acetoxy-5α-pregn-16-ene-11,20-dione

: 20703-79-1
21-bromo-3β,17-dihydroxy-5α-pregnane-11,20-dione

Guidance literature:: Multi-step reaction with 4 steps

1: methanol; aqueous hydrogen peroxide; aq. NaOH solution / Erwaermen des Reaktionsprodukts mit Acetanhydrid und Pyridin

2: HBr; acetic acid / nachfolgendes Behandeln mit Raney-Nickel in Aethanol

3: methanol.NaOH

4: bromine

With methanol; sodium hydroxide; hydrogen bromide; dihydrogen peroxide; bromine; acetic acid;
DOI:10.1021/ja01142a022