(S)-(3-(5-cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)propyl)dimethylsulfonium trifluoromethanesulfonate

Base Information

• Chemical Name: (S)-(3-(5-cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)propyl)dimethylsulfonium trifluoromethanesulfonate
• CAS No.: 1425794-11-1
• Molecular Formula: CF₃O₃S*C₂₀H₂₁FNOS
• Molecular Weight: 491.528
• Mol file: 1425794-11-1.mol

Synonyms:(S)-(3-(5-cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)propyl)dimethylsulfonium trifluoromethanesulfonate

Chemical Property of (S)-(3-(5-cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)propyl)dimethylsulfonium trifluoromethanesulfonate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (S)-(3-(5-cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)propyl)dimethylsulfonium trifluoromethanesulfonate

There total 6 articles about (S)-(3-(5-cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)propyl)dimethylsulfonium trifluoromethanesulfonate 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: 29.0%

(S)-1-(4-fluorophenyl)-1-(3-(methylthio)propyl)-1,3-dihydroisobenzofuran-5-carbonitrile (1425794-09-7) + methyl trifluoromethanesulfonate (333-27-7) → (S)-(3-(5-cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)propyl)dimethylsulfonium trifluoromethanesulfonate (1425794-11-1)

Guidance literature:

In dichloromethane; at 20 ℃; for 23h;

Reference yield:

escitalopram (128196-01-0) → (S)-(3-(5-cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)propyl)dimethylsulfonium trifluoromethanesulfonate (1425794-11-1)

Guidance literature:

Multi-step reaction with 4 steps

1.1: 5 h / Reflux

2.1: methanol / Reflux

2.2: 20 °C

3.1: sodium tetrahydroborate; ethanol / tetrahydrofuran / Inert atmosphere; Reflux

4.1: dichloromethane / 23 h / 20 °C

With sodium tetrahydroborate; ethanol; In tetrahydrofuran; methanol; dichloromethane;

Reference yield:

C22H22ClFN2O3 (1425794-07-5) → (S)-(3-(5-cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)propyl)dimethylsulfonium trifluoromethanesulfonate (1425794-11-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: methanol / Reflux

1.2: 20 °C

2.1: sodium tetrahydroborate; ethanol / tetrahydrofuran / Inert atmosphere; Reflux

3.1: dichloromethane / 23 h / 20 °C

With sodium tetrahydroborate; ethanol; In tetrahydrofuran; methanol; dichloromethane;

upstream raw materials:

(S)-1-(3-chloropropyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile

escitalopram

C₂₂H₂₂ClFN₂O₃

(+)-Desmethylcitalopram

Refernces