4-((5-methyl-2-oxo-1,3-dioxol-4-yl)methylthio)benzenesulfonate

Base Information

• Chemical Name: 4-((5-methyl-2-oxo-1,3-dioxol-4-yl)methylthio)benzenesulfonate
• CAS No.: 111738-22-8
• Molecular Formula: C₁₁H₉O₆S₂*Na
• Molecular Weight: 324.311
• Mol file: 111738-22-8.mol

Synonyms:Benzenesulfonicacid, 4-[[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]thio]-, sodium salt (9CI);1,3-Dioxole, benzenesulfonic acid deriv.; KB-R 4899

Chemical Property of 4-((5-methyl-2-oxo-1,3-dioxol-4-yl)methylthio)benzenesulfonate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 134.23000
• Density: g/cm³
• LogP: 2.81840

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-((5-methyl-2-oxo-1,3-dioxol-4-yl)methylthio)benzenesulfonate

There total 4 articles about 4-((5-methyl-2-oxo-1,3-dioxol-4-yl)methylthio)benzenesulfonate 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: 58.0%

4-mercaptobenzenesulphonic acid (7134-41-0) + 4-chloromethyl-5-methyl-1,3-dioxol-2-one (80841-78-7) → Sodium 4-((5-Methyl-2-oxo-1,3-dioxol-4-yl)methylthio)benzenesulfonate (111738-22-8)

Guidance literature:

With triethylamine; In dichloromethane; for 3h; Ambient temperature;

DOI:10.1248/cpb.39.1422

Reference yield:

dianilinium 4,4'-dithiobis(benzenesulfonate) (111738-19-3) → Sodium 4-((5-Methyl-2-oxo-1,3-dioxol-4-yl)methylthio)benzenesulfonate (111738-22-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 39 percent / Dowex 50W-X₂ (H-form) / methanol; H₂O

2: 58 percent / Et₃N / CH₂Cl₂ / 3 h / Ambient temperature

With Dowex 50W-X₂ (H-form); triethylamine; In methanol; dichloromethane; water;

DOI:10.1248/cpb.39.1422

Reference yield:

4-aminobenzene sulfonic acid (121-57-3,856062-06-1) → Sodium 4-((5-Methyl-2-oxo-1,3-dioxol-4-yl)methylthio)benzenesulfonate (111738-22-8)

Guidance literature:

Multi-step reaction with 3 steps

2: 39 percent / Dowex 50W-X₂ (H-form) / methanol; H₂O

3: 58 percent / Et₃N / CH₂Cl₂ / 3 h / Ambient temperature

With Dowex 50W-X₂ (H-form); triethylamine; In methanol; dichloromethane; water;

DOI:10.1248/cpb.39.1422

upstream raw materials:

4-mercaptobenzenesulphonic acid

4-chloromethyl-5-methyl-1,3-dioxol-2-one

dianilinium 4,4'-dithiobis(benzenesulfonate)

4-aminobenzene sulfonic acid