2-Methyl-5-[3-[4-(methylsulfinyl)phenyl]-5-benzofuranyl]-1,3,4-oxadiazole

Base Information

• Chemical Name: 2-Methyl-5-[3-[4-(methylsulfinyl)phenyl]-5-benzofuranyl]-1,3,4-oxadiazole
• CAS No.: 1005201-24-0
• Molecular Formula: C18H14N2O3S
• Molecular Weight: 338.387
• Mol file: 1005201-24-0.mol

Synonyms:2-Methyl-5-[3-[4-(methylsulfinyl)phenyl]benzofuran-5-yl]-1,3,4-oxadiazole;

Chemical Property of 2-Methyl-5-[3-[4-(methylsulfinyl)phenyl]-5-benzofuranyl]-1,3,4-oxadiazole

Chemical Property:

• PSA: 88.34000
• LogP: 5.06130
• Storage Temp.: Store at +4°C
• Solubility.: <33.84mg/ml in DMSO; <8.46mg/ml in ethanol

Purity/Quality:

99% ^*data from raw suppliers

TCS 2002 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: TCS 2002 is a Wnt/β-catenin signaling modulator, which is associated with diseases such as cancer and Alzheimer’s diasease.

Technology Process of 2-Methyl-5-[3-[4-(methylsulfinyl)phenyl]-5-benzofuranyl]-1,3,4-oxadiazole

There total 1 articles about 2-Methyl-5-[3-[4-(methylsulfinyl)phenyl]-5-benzofuranyl]-1,3,4-oxadiazole 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: 84.0%

2-methyl-5-{3-[4-(methylsulfanyl)phenyl]-1-benzofuran-5-yl}-1,3,4-oxadiazole (1005201-23-9) → 2-methyl-5-{3-[4-(methylsulfinyl)phenyl]-1-benzofuran-5-yl}-1,3,4-oxadiazole (1005201-24-0)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃; for 0.0833333h;

DOI:10.1021/jm900647e

Reference yield: 49.0%

2-methyl-5-{3-[4-(methylsulfinyl)phenyl]-1-benzofuran-5-yl}-1,3,4-oxadiazole (1005201-24-0) → 2-methyl-5-{3-[4-(methylsulfinyl)phenyl]-1-benzofuran-5-yl}-1,3,4-oxadiazole (1005203-15-5) + 2-methyl-5-{3-[4-(methylsulfinyl)phenyl]-1-benzofuran-5-yl}-1,3,4-oxadiazole (1005203-14-4)

Guidance literature:

With CHIRALPAK AS; In ethanol; optical yield given as %ee; Resolution of racemate;

DOI:10.1021/jm900647e

Reference yield: 44.0%

2-methyl-5-{3-[4-(methylsulfinyl)phenyl]-1-benzofuran-5-yl}-1,3,4-oxadiazole (1005201-24-0) + 2,4-Dimethoxybenzylamine (20781-20-8) → 4-(2,4-dimethoxybenzyl)-3-methyl-5-{3-[4-(methylsulfinyl)phenyl]-1-benzofuran-5-yl}-4H-1,2,4-triazole (1191885-54-7)

Guidance literature:

With toluene-4-sulfonic acid; In 5,5-dimethyl-1,3-cyclohexadiene; at 150 ℃;

DOI:10.1021/jm900647e

upstream raw materials:

2-methyl-5-{3-[4-(methylsulfanyl)phenyl]-1-benzofuran-5-yl}-1,3,4-oxadiazole

Downstream raw materials:

2-methyl-5-{3-[4-(methylsulfinyl)phenyl]-1-benzofuran-5-yl}-1,3,4-oxadiazole

2-methyl-5-{3-[4-(methylsulfinyl)phenyl]-1-benzofuran-5-yl}-1,3,4-oxadiazole

4-(2,4-dimethoxybenzyl)-3-methyl-5-{3-[4-(methylsulfinyl)phenyl]-1-benzofuran-5-yl}-4H-1,2,4-triazole