3beta-Hydroxy-androsta-5,15-dien-17-one Acetate

Base Information

Chemical Name:3beta-Hydroxy-androsta-5,15-dien-17-one Acetate
CAS No.:17921-64-1
Molecular Formula:C₂₁H₂₈O₃
Molecular Weight:328.452
Hs Code.:
Mol file:17921-64-1.mol

Synonyms:3beta-Hydroxy-androsta-5,15-dien-17-one Acetate;SCHEMBL10274158;3beta-acetoxyandrosta-5,15-dien-17-one

Suppliers and Price of 3beta-Hydroxy-androsta-5,15-dien-17-one 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

Medical Isotopes, Inc.
3β-O-Acetyl-androsta-5,15-dien-17-one
100 mg
$ 650.00

Total 3 raw suppliers

Chemical Property of 3beta-Hydroxy-androsta-5,15-dien-17-one Acetate

Chemical Property:

Melting Point:179-181 °C(Solv: hexane (110-54-3))
Boiling Point:441.4±45.0 °C(Predicted)
PSA：43.37000
Density:1.13±0.1 g/cm3(Predicted)
LogP:4.22600
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:328.20384475
Heavy Atom Count:24
Complexity:646

Purity/Quality:

99% ^*data from raw suppliers

3β-O-Acetyl-androsta-5,15-dien-17-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)C=CC4=O)C)C
Isomeric SMILES:CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)C=CC4=O)C)C
Uses 3β-Hydroxy-androsta-5,15-dien-17-one Acetate is used in the preparation of Drospirenone.

Technology Process of 3beta-Hydroxy-androsta-5,15-dien-17-one Acetate

There total 5 articles about 3beta-Hydroxy-androsta-5,15-dien-17-one 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: 55.0%

: 853-23-6
prasterone acetate

: 17921-64-1
(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

Guidance literature:: With copper(I) thiophene-2-carboxylate; di-tert-butyl peroxide; cyclohexyldiphenylphosphine; In benzene; at 80 ℃; for 12h; chemoselective reaction; Inert atmosphere; Sealed tube;
DOI:10.1021/jacs.9b07932

Reference yield: 49.0%

: 17921-63-0
3β-hydroxy-androst-5,15-dien-17-one

: 108-24-7
acetic anhydride

: 17921-64-1
(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

Guidance literature:: 3β-hydroxy-androst-5,15-dien-17-one; acetic anhydride; With boron trifluoride diethyl etherate; In dichloromethane; at 20 ℃; for 2h;

With water; In dichloromethane;

Reference yield:

: C₂₉H₄₃BO₃

: 17921-64-1
(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

Guidance literature:: With palladium diacetate; In diethyl ether; hexane; N,N-dimethyl acetamide; at 20 ℃; for 1h; stereoselective reaction; Molecular sieve; Inert atmosphere;
DOI:10.1002/chem.201604306