Nomegestrol acetate 6-hydroxy impurity

Base Information

• Chemical Name: Nomegestrol acetate 6-hydroxy impurity
• CAS No.: 147508-44-9
• Molecular Formula: C₂₃H₃₀O₅
• Molecular Weight: 386.488
• UNII: YC98W76BX8
• Mol file: 147508-44-9.mol

Synonyms:Nomegestrol acetate 6-hydroxy impurity;SCHEMBL8626100;YC98W76BX8;TX-219;Nomegestrol acetate 6-hydroxy metabolite;19-Norpregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-(hydroxymethyl)-

Chemical Property of Nomegestrol acetate 6-hydroxy impurity

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 386.20932405
• Heavy Atom Count: 28
• Complexity: 793

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

17α-Acetoxy-6-hydroxymethyl-3,20-dioxo-19-nor-pregna-4,6-diene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34)CO)C)OC(=O)C
• Isomeric SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)CC[C@H]34)CO)C)OC(=O)C
• Uses: 17α-Acetoxy-6-hydroxymethyl-3,20-dioxo-19-nor-pregna-4,6-diene is a new hormonal derived compound presenting a potential therapeutic interest for treating symptoms of menopause.

Technology Process of Nomegestrol acetate 6-hydroxy impurity

There total 2 articles about Nomegestrol acetate 6-hydroxy impurity 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: 40.0%

C23H30O5 → 6-hydroxymethyl-17α-acetoxy-19-norpregn-4,6-diene-3,20-dione (147508-44-9)

Guidance literature:

With sulfuric acid; In tetrahydrofuran; water; at 0 - 20 ℃;

DOI:10.1002/ardp.201800295

Reference yield:

→ 6-hydroxymethyl-17α-acetoxy-19-norpregn-4,6-diene-3,20-dione (147508-44-9)

Guidance literature: