methyl 3,5-dimethyl-4-{[(trifluoromethyl)sulfonyl]oxy}benzoate

Base Information

• Chemical Name: methyl 3,5-dimethyl-4-{[(trifluoromethyl)sulfonyl]oxy}benzoate
• CAS No.: 341006-48-2
• Molecular Formula: C₁₁H₁₁F₃O₅S
• Molecular Weight: 312.267
• Mol file: 341006-48-2.mol

Synonyms:methyl 3,5-dimethyl-4-{[(trifluoromethyl)sulfonyl]oxy}benzoate

Chemical Property of methyl 3,5-dimethyl-4-{[(trifluoromethyl)sulfonyl]oxy}benzoate

Chemical Property:

• Boiling Point: 365.8±42.0 °C(Predicted)
• Density: 1.411±0.06 g/cm3(Predicted)

Purity/Quality:

99% ^*data from raw suppliers

Methyl3,5-dimethyl-4-(((trifluoromethyl)sulfonyl)oxy)benzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of methyl 3,5-dimethyl-4-{[(trifluoromethyl)sulfonyl]oxy}benzoate

There total 5 articles about methyl 3,5-dimethyl-4-{[(trifluoromethyl)sulfonyl]oxy}benzoate 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: 96.0%

trifluoromethylsulfonic anhydride (358-23-6) + methyl 4-hydroxy-3,5-dimethylbenzoate (34137-14-9) → methyl 3,5-dimethyl-4-{[(trifluoromethyl)sulfonyl]oxy}benzoate (341006-48-2)

Guidance literature:

With pyridine;

DOI:10.1055/s-2006-944190

Reference yield:

methyl 4-hydroxy-3,5-dimethylbenzoate (34137-14-9) → methyl 3,5-dimethyl-4-{[(trifluoromethyl)sulfonyl]oxy}benzoate (341006-48-2)

Guidance literature:

With trifluoromethanesulfonic acid anhydride; triethylamine; In hexane; dichloromethane; ethyl acetate;

Reference yield:

3,5-dimethyl-4-hydroxybenzoic acid (4919-37-3) → methyl 3,5-dimethyl-4-{[(trifluoromethyl)sulfonyl]oxy}benzoate (341006-48-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / SOCl₂

2: 96 percent / pyridine

With pyridine; thionyl chloride;

DOI:10.1055/s-2006-944190

upstream raw materials:

trifluoromethylsulfonic anhydride

methyl 4-hydroxy-3,5-dimethylbenzoate

2.6-dimethylphenol

3,5-dimethyl-4-hydroxybenzoic acid

Downstream raw materials:

4-(2-tert-butoxycarbonyl-vinyl)-3,5-dimethyl-benzoic acid methyl ester

3-(4-cyano-2,6-dimethyl-phenyl)-propionic acid tert-butyl ester

3-[4-(N-hydroxycarbamimidoyl)-2,6-dimethyl-phenyl]-propionic acid tert-butyl ester

4-(2-tert-butoxycarbonyl-ethyl)-3,5-dimethyl-benzoic acid

Refernces

• 1、 -. "PYRIDINE COMPOUNDS". Page/Page column 23-24. . Retrieved 2009/10/22.
• 2、 -. "AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS". Page/Page column 39. . Retrieved 2008/12/07.