2-[(4-chloro-phenylsulfanyl)-(2,3,6-trifluoro-phenyl)-methyl]-propane-1,3-diol

Base Information

• Chemical Name: 2-[(4-chloro-phenylsulfanyl)-(2,3,6-trifluoro-phenyl)-methyl]-propane-1,3-diol
• CAS No.: 944950-53-2
• Molecular Formula: C₁₆H₁₄ClF₃O₂S
• Molecular Weight: 362.8
• Mol file: 944950-53-2.mol

Synonyms:2-[(4-chloro-phenylsulfanyl)-(2,3,6-trifluoro-phenyl)-methyl]-propane-1,3-diol

Chemical Property of 2-[(4-chloro-phenylsulfanyl)-(2,3,6-trifluoro-phenyl)-methyl]-propane-1,3-diol

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-[(4-chloro-phenylsulfanyl)-(2,3,6-trifluoro-phenyl)-methyl]-propane-1,3-diol

There total 3 articles about 2-[(4-chloro-phenylsulfanyl)-(2,3,6-trifluoro-phenyl)-methyl]-propane-1,3-diol 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: 65.0%

2-[(4-chloro-phenylsulfanyl)-(2,3,6-trifluoro-phenyl)-methyl]-malonic acid dimethyl ester (944950-34-9) → 2-[(4-chloro-phenylsulfanyl)-(2,3,6-trifluoro-phenyl)-methyl]-propane-1,3-diol (944950-53-2)

Guidance literature:

2-[(4-chloro-phenylsulfanyl)-(2,3,6-trifluoro-phenyl)-methyl]-malonic acid dimethyl ester; With diisobutylaluminium hydride; In tetrahydrofuran; hexane; at 20 - 60 ℃; for 8h;

With hydrogenchloride; In tetrahydrofuran; hexane; water; ethyl acetate;

Reference yield:

2-(2,3,6-trifluoro-benzylidene)-malonic acid dimethyl ester (944950-33-8) → 2-[(4-chloro-phenylsulfanyl)-(2,3,6-trifluoro-phenyl)-methyl]-propane-1,3-diol (944950-53-2)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / tetrahydrofuran

2: lithium aluminium tetrahydride / tetrahydrofuran

With lithium aluminium tetrahydride; potassium carbonate; In tetrahydrofuran; 1: |Michael Addition;

DOI:10.1016/j.bmcl.2012.11.047

Reference yield:

p-Chlorothiophenol (106-54-7) → 2-[(4-chloro-phenylsulfanyl)-(2,3,6-trifluoro-phenyl)-methyl]-propane-1,3-diol (944950-53-2)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / tetrahydrofuran

2: lithium aluminium tetrahydride / tetrahydrofuran

With lithium aluminium tetrahydride; potassium carbonate; In tetrahydrofuran; 1: |Michael Addition;

DOI:10.1016/j.bmcl.2012.11.047

upstream raw materials:

2-[(4-chloro-phenylsulfanyl)-(2,3,6-trifluoro-phenyl)-methyl]-malonic acid dimethyl ester

2-(2,3,6-trifluoro-benzylidene)-malonic acid dimethyl ester

p-Chlorothiophenol

Downstream raw materials:

C₂₀H₁₉ClF₂O₅S

C₂₄H₂₇ClF₂O₉S₃