2alpha-Hydroxyandrost-4-ene-3,17-dione

Base Information

• Chemical Name: 2alpha-Hydroxyandrost-4-ene-3,17-dione
• CAS No.: 571-17-5
• Molecular Formula: C₁₉H₂₆O₃
• Molecular Weight: 302.414
• ChEMBL ID: CHEMBL3752976
• DSSTox Substance ID: DTXSID501024070
• Nikkaji Number: J337.161A

Synonyms:CHEMBL3752976;2alpha-Hydroxyandrost-4-ene-3,17-dione;571-17-5;SCHEMBL17184306;DTXSID501024070;BDBM50135766

Chemical Property of 2alpha-Hydroxyandrost-4-ene-3,17-dione

Chemical Property:

• Boiling Point: 475.3±45.0 °C(Predicted)
• Density: 1.19±0.1 g/cm3(Predicted)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 302.18819469
• Heavy Atom Count: 22
• Complexity: 577

Purity/Quality:

95%-98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2=O)CCC4=CC(=O)C(CC34C)O
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)[C@@H](C[C@]34C)O

Technology Process of 2alpha-Hydroxyandrost-4-ene-3,17-dione

There total 4 articles about 2alpha-Hydroxyandrost-4-ene-3,17-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:

4,5-epoxyandrostane-3,17-dione (77057-73-9) → 4-hydroxyandrost-4-ene-3,17-dione (566-48-3) + 2alpha-Hydroxyandrost-4-ene-3,17-dione (571-17-5) + 4-hydroxyandrost-4,9(11)-diene-3,17-dione (88509-26-6) + 4α-acetoxy-5α-hydroxyandrostane-3,17-dione (140223-19-4)

Guidance literature:

With sulfuric acid; In acetic acid; Further byproducts given; a> RT, 4 h, b) 4 deg C, 12 h;

DOI:10.1021/jm00087a013

Reference yield:

4,5-epoxyandrostane-3,17-dione (77057-73-9) → 2α-acetoxyandrost-4-ene-3,17-dione (2241-85-2) + 4-hydroxyandrost-4-ene-3,17-dione (566-48-3) + 2alpha-Hydroxyandrost-4-ene-3,17-dione (571-17-5) + 4-hydroxyandrost-4,9(11)-diene-3,17-dione (88509-26-6)

Guidance literature:

With sulfuric acid; In acetic acid; Further byproducts given; a) RT, 4 h, b) 4 deg C, 12 h;

DOI:10.1021/jm00087a013

Reference yield:

acetic acid (64-19-7,77671-22-8) + 4,5-epoxyandrostane-3,17-dione (77057-73-9) → 2α-acetoxyandrost-4-ene-3,17-dione (2241-85-2) + 4-hydroxyandrost-4-ene-3,17-dione (566-48-3) + 2alpha-Hydroxyandrost-4-ene-3,17-dione (571-17-5) + 4-hydroxyandrost-4,9(11)-diene-3,17-dione (88509-26-6)

Guidance literature:

With sulfuric acid; Further byproducts given; a) RT, 4 h, b) 4 deg C, 12 h;

DOI:10.1021/jm00087a013

upstream raw materials:

acetic acid

4,5-epoxyandrostane-3,17-dione

Downstream raw materials:

2α-bromoacetoxy-4-androstene-3,17-dione

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