3α-hydroxy-3β-(3',4'-dimethoxyphenyl)ethynyl-5β-pregnan-20-one

Base Information

• Chemical Name: 3α-hydroxy-3β-(3',4'-dimethoxyphenyl)ethynyl-5β-pregnan-20-one
• CAS No.: 162882-56-6
• Molecular Formula: C₃₁H₄₂O₄
• Molecular Weight: 478.672
• Mol file: 162882-56-6.mol

Synonyms:3α-hydroxy-3β-(3',4'-dimethoxyphenyl)ethynyl-5β-pregnan-20-one

Chemical Property of 3α-hydroxy-3β-(3',4'-dimethoxyphenyl)ethynyl-5β-pregnan-20-one

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3α-hydroxy-3β-(3',4'-dimethoxyphenyl)ethynyl-5β-pregnan-20-one

There total 4 articles about 3α-hydroxy-3β-(3',4'-dimethoxyphenyl)ethynyl-5β-pregnan-20-one 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:

carbon tetrabromide (558-13-4) + 2,2-dibromo-1-(3,4-dimethoxyphenyl)ethene (118199-01-2) + 3,4-dimethoxy-benzaldehyde (120-14-9) → 3α-(3',4'-Dimethoxyphenyethynyl)-3α-hydroxy-5β-pregnan-20-one + 3α-hydroxy-3β-(3',4'-dimethoxyphenyl)ethynyl-5β-pregnan-20-one (162882-56-6)

Guidance literature:

With hydrogenchloride; n-butyllithium; triphenylphosphine; In tetrahydrofuran; acetone;

Reference yield:

2,2-dibromo-1-(3,4-dimethoxyphenyl)ethene (118199-01-2) → 3α-hydroxy-3β-(3',4'-dimethoxyphenyl)ethynyl-5β-pregnan-20-one (162882-56-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) n-BuLi / 1.) THF, a) -78 deg C, 0.5 h, b) RT, 1 h, 2.) THF, a) -78 deg C, 2 h, b) RT, 1 h

2: 2 N HCl / acetone / 2 h

With hydrogenchloride; n-butyllithium; In acetone;

DOI:10.1021/jm9605344

Reference yield:

3,4-dimethoxy-benzaldehyde (120-14-9) → 3α-hydroxy-3β-(3',4'-dimethoxyphenyl)ethynyl-5β-pregnan-20-one (162882-56-6)

Guidance literature:

Multi-step reaction with 3 steps

1: PPh₃ / CH₂Cl₂ / 0.33 h / 0 °C

2: 1.) n-BuLi / 1.) THF, a) -78 deg C, 0.5 h, b) RT, 1 h, 2.) THF, a) -78 deg C, 2 h, b) RT, 1 h

3: 2 N HCl / acetone / 2 h

With hydrogenchloride; n-butyllithium; triphenylphosphine; In dichloromethane; acetone;

DOI:10.1021/jm9605344

upstream raw materials:

2,2-dibromo-1-(3,4-dimethoxyphenyl)ethene

3,4-dimethoxy-benzaldehyde

carbon tetrabromide

Downstream raw materials:

3α-hydroxy-3β-[2-(3',4'-dimethoxyphenyl)ethyl]-5β-pregnan-20-one