Roxibolone

Base Information

• Chemical Name: Roxibolone
• CAS No.: 60023-92-9
• Molecular Formula: C₂₁H₂₈O₅
• Molecular Weight: 360.45
• UNII: 3R7NLP419C
• DSSTox Substance ID: DTXSID20208728
• Nikkaji Number: J18.477B
• Wikipedia: Roxibolone
• Wikidata: Q7372436
• NCI Thesaurus Code: C74110
• Metabolomics Workbench ID: 155782
• ChEMBL ID: CHEMBL2105402
• Mol file: 60023-92-9.mol

Synonyms:2-carboxy-11,17-dihydroxy-17-methyl-1,4-androstadien-3-one;2-carboxy-11-beta, 17 beta-dihydroxy-17-methyl-1, 4-androstadien-3-one;roxibolone;roxibolone, (11alpha,17beta)-isomer

Chemical Property of Roxibolone

Chemical Property:

• Vapor Pressure: 1.64E-15mmHg at 25°C
• Melting Point: 66 °C
• Boiling Point: 572.9°C at 760 mmHg
• Flash Point: 314.3°C
• PSA: 94.83000
• Density: 1.31g/cm³
• LogP: 2.47090
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 360.19367399
• Heavy Atom Count: 26
• Complexity: 752

Purity/Quality:

97% ^*data from raw suppliers

ROXIBOLONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2C1(CC(C3C2CCC4=CC(=O)C(=CC34C)C(=O)O)O)C)O
• Isomeric SMILES: C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C(=C[C@]34C)C(=O)O)O)C)O

Technology Process of Roxibolone

There total 4 articles about Roxibolone 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: 52.1%

formebolone (26127-25-3) → riboxolone (60023-92-9)

Guidance literature:

With sodium hydroxide; silver nitrate; In water; for 4h; Ambient temperature;

DOI:10.1016/0039-128X(84)90045-X

Reference yield:

11β-hydroxy-17α-methyltestosterone (1043-10-3) → riboxolone (60023-92-9)

Guidance literature:

Multi-step reaction with 3 steps

1: NaH / pyridine; benzene; methanol / 4 h

2: DDQ / dioxane; CH₂Cl₂ / 2.5 h

3: 52.1 percent / AgNO₃, NaOH / H₂O / 4 h / Ambient temperature

With sodium hydroxide; sodium hydride; silver nitrate; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; pyridine; methanol; dichloromethane; water; benzene;

DOI:10.1016/0039-128X(84)90045-X

Reference yield:

2-hydroxymethylene-11β-hydroxy-17α-methyltestosterone (28980-15-6) → riboxolone (60023-92-9)

Guidance literature:

Multi-step reaction with 2 steps

1: DDQ / dioxane; CH₂Cl₂ / 2.5 h

2: 52.1 percent / AgNO₃, NaOH / H₂O / 4 h / Ambient temperature

With sodium hydroxide; silver nitrate; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; dichloromethane; water;

DOI:10.1016/0039-128X(84)90045-X

upstream raw materials:

formebolone

11β-hydroxy-17α-methyltestosterone

2-hydroxymethylene-11β-hydroxy-17α-methyltestosterone

Downstream raw materials:

decylroxibolone