lygtf

Base Information

• Chemical Name: lygtf
• CAS No.: 1632051-40-1
• Molecular Formula: C₂₅H₃₅N₃O₂
• Molecular Weight: 409.572
• Mol file: 1632051-40-1.mol

Synonyms:

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Chemical Property of lygtf

Chemical Property:

• Boiling Point: 574.3±30.0 °C(Predicted)
• PKA: 15.17±0.60(Predicted)
• Density: 1.32±0.1 g/cm3(Predicted)

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: Zuranolone is a potent GABAA receptor agonist.

Technology Process of lygtf

There total 7 articles about lygtf 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: 17.4%

2-bromo-1-((3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethan-1-one (1430063-93-6) + 1H-pyrazole-4-carbonitrile (31108-57-3) → zuranolone (1632051-40-1)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; at 20 ℃; for 15h;

Reference yield:

(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,1 1,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one → zuranolone (1632051-40-1)

Guidance literature:

Multi-step reaction with 5 steps

1.1: potassium tert-butylate / tetrahydrofuran / 1 h / 0 - 60 °C

1.2: 18 h / 60 °C

2.1: dimethylsulfide borane complex / tetrahydrofuran / 14 - 20 °C / Cooling with ice

2.2: 2 h / 14 - 20 °C

3.1: pyridinium chlorochromate / dichloromethane / 3 h / 0 - 22 °C

4.1: bromine; hydrogen bromide / water; methanol / 1.5 h / 17 °C

5.1: potassium carbonate / tetrahydrofuran / 15 h / 20 °C

With dimethylsulfide borane complex; potassium tert-butylate; hydrogen bromide; bromine; potassium carbonate; pyridinium chlorochromate; In tetrahydrofuran; methanol; dichloromethane; water;

Reference yield:

(3R,5R,8R,9R,10S,13S,14S)-17-ethylidene-3,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-ol (1430063-91-4) → zuranolone (1632051-40-1)

Guidance literature:

Multi-step reaction with 4 steps

1.1: dimethylsulfide borane complex / tetrahydrofuran / 14 - 20 °C / Cooling with ice

1.2: 2 h / 14 - 20 °C

2.1: pyridinium chlorochromate / dichloromethane / 3 h / 0 - 22 °C

3.1: bromine; hydrogen bromide / water; methanol / 1.5 h / 17 °C

4.1: potassium carbonate / tetrahydrofuran / 15 h / 20 °C

With dimethylsulfide borane complex; hydrogen bromide; bromine; potassium carbonate; pyridinium chlorochromate; In tetrahydrofuran; methanol; dichloromethane; water;

upstream raw materials:

(3R,5R,8R,9R,10S,13S,14S)-17-ethylidene-3,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-ol

2-bromo-1-((3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethan-1-one

1H-pyrazole-4-carbonitrile

(3R,5R,8R,9R,10S,13S,14S,17S)-17-(1-hydroxyethyl)-3,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-ol