10β-Peroxy 4-Tibolone

Base Information

• Chemical Name: 10β-Peroxy 4-Tibolone
• CAS No.: 105186-34-3
• Molecular Formula: C21H28O4
• Molecular Weight: 344.451
• Mol file: 105186-34-3.mol

Synonyms:10β-Peroxy 4-Tibolone ;(7α,17α)-;(7alpha,17alpha)-19-Hydroperoxy-17-hydroxy-7-methyl-19-norpregn-4-en-20-yn-3-one

Chemical Property of 10β-Peroxy 4-Tibolone

Chemical Property:

• Melting Point: 208-211°C
• Boiling Point: 513.8±50.0 °C(Predicted)
• PKA: 11.87±0.70(Predicted)
• PSA: 66.76000
• Density: 1.23±0.1 g/cm3(Predicted)
• LogP: 3.35070
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: 4-Tibolone derivative. A potential impurity of ?4-Tibolone (T437505).

Technology Process of 10β-Peroxy 4-Tibolone

There total 7 articles about 10β-Peroxy 4-Tibolone 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: 79.0%

3,3-dimethoxy-7α-methyl-19-nor-17α-pregn-5(10)-en-20-yn-17β-ol (105186-33-2) → 7α-methyl-17α-ethinyl-17β-hydroxy-4-estren-3-one (1162-60-3) + tibolone (5630-53-5) + 10β-hydroperoxy-17β-hydroxy-7α-methyl-19-nor-17α-pregn-4-en-20-yn-3-one (105186-34-3)

Guidance literature:

With oxalic acid; In ethanol; water; at 20 ℃; for 2h; Yields of byproduct given;

DOI:10.1002/recl.19861050403

Reference yield: 45.0%

tibolone (5630-53-5) → 10β-hydroperoxy-17β-hydroxy-7α-methyl-19-nor-17α-pregn-4-en-20-yn-3-one (105186-34-3)

Guidance literature:

With oxygen; hematoporphyrin; In pyridine; at 20 ℃; for 1h; Irradiation;

DOI:10.1002/recl.19861050403

Reference yield:

7α-methylestr-5(10)-ene-3,17-dione (105186-32-1) → 10β-hydroperoxy-17β-hydroxy-7α-methyl-19-nor-17α-pregn-4-en-20-yn-3-one (105186-34-3)

Guidance literature:

Multi-step reaction with 4 steps

1: 86 percent / malonic acid / 24 h / 20 °C

2: 91 percent / potassium tert-butoxide / tetrahydrofuran / 2 h / 0 °C

3: 79 percent / oxalic acid dihydrate / H₂O; ethanol / 2 h / 20 °C

4: 45 percent / hematoporphyrin, oxygen / pyridine / 1 h / 20 °C / Irradiation

With malonic acid; potassium tert-butylate; oxygen; oxalic acid; hematoporphyrin; In tetrahydrofuran; pyridine; ethanol; water;

DOI:10.1002/recl.19861050403

upstream raw materials:

tibolone

3,3-dimethoxy-7α-methyl-19-nor-17α-pregn-5(10)-en-20-yn-17β-ol

7α-methylestr-5(10)-ene-3,17-dione

3,3-dimethoxy-7α-methylestr-5(10)-en-17-one

Downstream raw materials:

10β,17β-dihydroxy-7α-methyl-19-nor-17α-pregn-4-en-20-yn-3-one

Refernces