19-Iodo-5-androstene-3beta-ol-17-one 3-acetate

Base Information

• Chemical Name: 19-Iodo-5-androstene-3beta-ol-17-one 3-acetate
• CAS No.: 82341-96-6
• Molecular Formula: C₂₁H₂₉IO₃
• Molecular Weight: 456.364
• Hs Code.: 29372290
• DSSTox Substance ID: DTXSID80560379
• Wikidata: Q82443501
• Mol file: 82341-96-6.mol

Synonyms:19-Iodo-5-androstene-3beta-ol-17-one 3-acetate;82341-96-6;DTXSID80560379;NCGC00485527-01;(3beta)-19-Iodo-17-oxoandrost-5-en-3-yl acetate;[(3S,8S,9S,10S,13S,14S)-10-(iodomethyl)-13-methyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate

Chemical Property of 19-Iodo-5-androstene-3beta-ol-17-one 3-acetate

Chemical Property:

• PSA: 43.37000
• LogP: 4.86510
• Storage Temp.: 2-8°C
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 456.11614
• Heavy Atom Count: 25
• Complexity: 627

Purity/Quality:

19-Iodo-5-androstene-3β-ol-17-one 3-acetate ^*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)CCC4=O)C)CI
• Isomeric SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)CI

Technology Process of 19-Iodo-5-androstene-3beta-ol-17-one 3-acetate

There total 1 articles about 19-Iodo-5-androstene-3beta-ol-17-one 3-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:

3β,19-dihydroxy-5-androsten-17-one 3-acetate 19-p-toluenesulfonate (5885-24-5) → 3β-Hydroxy-19-iodo-5-androsten-17-one acetate (82341-96-6)

Guidance literature:

With sodium iodide; In isopropyl alcohol; for 3h; Heating;

DOI:10.1016/0039-128X(83)90002-8

Reference yield:

3β-Hydroxy-19-iodo-5-androsten-17-one acetate (82341-96-6) → 19-Methylthio-4-androstene-3,17-dione (90212-03-6)

Guidance literature:

Multi-step reaction with 4 steps

1: hexamethylphosphoric acid triamide / 5 h / 80 °C

2: LiAlH₄ / tetrahydrofuran

3: K₂CO₃ / methanol

4: Oppenauer oxidation

With lithium aluminium tetrahydride; potassium carbonate; In tetrahydrofuran; methanol; N,N,N,N,N,N-hexamethylphosphoric triamide;

DOI:10.1039/c39850001733

upstream raw materials:

3β,19-dihydroxy-5-androsten-17-one 3-acetate 19-p-toluenesulfonate

Downstream raw materials:

19-Methylthio-4-androstene-3,17-dione