Hydroxydione

Base Information

• Chemical Name: Hydroxydione
• CAS No.: 303-01-5
• Molecular Formula: C21H32 O3
• Molecular Weight: 332.483
• NSC Number: 86000
• UNII: B7VFN88375
• DSSTox Substance ID: DTXSID401027269
• Nikkaji Number: J5.485B
• Wikipedia: Hydroxydione
• Wikidata: Q3792004
• Metabolomics Workbench ID: 152033
• Mol file: 303-01-5.mol

Synonyms:21-hydroxy-5 alpha-pregnane-3,20-dione;5 alpha-dihydro-11-deoxycorticosterone;hydroxydione;hydroxydione sodium;hydroxydione, (5 alpha)-isomer;P 234;P-234;Predion;Pregnane-3,20-dione, 21-hydroxy-, (5beta)-;Viadril;Viadryl

Chemical Property of Hydroxydione

Chemical Property:

• Vapor Pressure: 9.42E-11mmHg at 25°C
• Boiling Point: 468.6°C at 760 mmHg
• Flash Point: 251.3°C
• PSA: 54.37000
• Density: 1.11g/cm³
• LogP: 3.77580
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 332.23514488
• Heavy Atom Count: 24
• Complexity: 555

Purity/Quality:

97% ^*data from raw suppliers

Hydroxydione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4C(=O)CO)C
• Isomeric SMILES: C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CO)C
• Uses: Hydroxydione is one of the chemicals studied for acute oral toxicity, repellency and hazard potential to species of wild and domestic birds.

Technology Process of Hydroxydione

There total 1 articles about Hydroxydione 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:

21-Hydroxyprogesterone (64-85-7) + NADPH (53-57-6) → 21-hydroxy-5β-pregnane-3,20-dione (303-01-5) + NADP (53-59-8)

Guidance literature:

With recombinant Digitalis lanata progesterone 5β-reductase; for 0.5h; Enzyme kinetics;

DOI:10.1016/j.phytochem.2005.11.013

Reference yield:

21-hydroxy-5β-pregnane-3,20-dione (303-01-5) → tetrahydrodeoxycorticosterone (567-03-3)

Guidance literature:

With ethanol; nickel; Hydrogenation;

Reference yield:

succinic acid anhydride (108-30-5) + 21-hydroxy-5β-pregnane-3,20-dione (303-01-5) → succinic acid mono-(3,20-dioxo-5β-pregnan-21-yl ester) (80-96-6)

Guidance literature:

With pyridine;

upstream raw materials:

21-Hydroxyprogesterone

NADPH

Downstream raw materials:

succinic acid mono-(3,20-dioxo-5β-pregnan-21-yl ester)

tetrahydrodeoxycorticosterone

3α,20,21-Trihydroxy-5β-pregnan

3β,20,21-Trihydroxy-5β-pregnan

Refernces