Methyl 5-(methylsulfonyl)-2-[(tetrahydro-2-oxo-3-furanyl)oxy]benzoate

Base Information

• Chemical Name: Methyl 5-(methylsulfonyl)-2-[(tetrahydro-2-oxo-3-furanyl)oxy]benzoate
• CAS No.: 77527-01-6
• Molecular Formula: C13H14O7S
• Molecular Weight: 314.316
• DSSTox Substance ID: DTXSID401155927
• Mol file: 77527-01-6.mol

Synonyms:SCHEMBL11383969;DTXSID401155927;Methyl 5-(methylsulfonyl)-2-[(tetrahydro-2-oxo-3-furanyl)oxy]benzoate;77527-01-6

Chemical Property of Methyl 5-(methylsulfonyl)-2-[(tetrahydro-2-oxo-3-furanyl)oxy]benzoate

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 314.04602395
• Heavy Atom Count: 21
• Complexity: 507

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)OC2CCOC2=O

Technology Process of Methyl 5-(methylsulfonyl)-2-[(tetrahydro-2-oxo-3-furanyl)oxy]benzoate

There total 3 articles about Methyl 5-(methylsulfonyl)-2-[(tetrahydro-2-oxo-3-furanyl)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: 99.0%

methyl 5-methylthio-2-<(tetrahydro-2-oxo-3-furanyl)oxy>benzoate (77526-97-7) → methyl 5-methylsulfonyl-2-<(tetrahydro-2-oxo-3-furanyl)oxy>benzoate (77527-01-6)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 1h; Ambient temperature;

DOI:10.1248/cpb.32.3532

Reference yield:

methyl 5-methylthio-2-<(tetrahydro-2-oxo-3-furanyl)oxy>benzoate (77526-97-7) + 3-chloro-benzenecarboperoxoic acid (937-14-4) → methyl 5-methylsulfonyl-2-<(tetrahydro-2-oxo-3-furanyl)oxy>benzoate (77527-01-6)

Guidance literature:

With sodium dithionite; sodium bicarbonate; In dichloromethane; water;

Reference yield:

methyl 5-(methylthio)salicylate (59699-19-3) → methyl 5-methylsulfonyl-2-<(tetrahydro-2-oxo-3-furanyl)oxy>benzoate (77527-01-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 64 percent / K₂CO₃ / acetone / 36 h / 60 °C

2: 99 percent / m-chloroperbenzoic acid / CH₂Cl₂ / 1 h / Ambient temperature

With potassium carbonate; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; acetone;

DOI:10.1248/cpb.32.3532

upstream raw materials:

methyl 5-methylthio-2-<(tetrahydro-2-oxo-3-furanyl)oxy>benzoate

methyl 5-(methylthio)salicylate

3-chloro-benzenecarboperoxoic acid