3-(Trimethylsilyl)propane-1-sulfonic acid

Base Information

• Chemical Name: 3-(Trimethylsilyl)propane-1-sulfonic acid
• CAS No.: 18173-90-5
• Molecular Formula: C6H16O3SSi
• Molecular Weight: 196.343
• European Community (EC) Number: 863-960-7
• UNII: 9N66Z24TLR
• DSSTox Substance ID: DTXSID80939465
• Nikkaji Number: J476.436F
• Wikipedia: DSS_(NMR_standard)
• Wikidata: Q632712
• Mol file: 18173-90-5.mol

Synonyms:2,2-dimethyl-2-silapentane-5-sulfonate;2,2-dimethyl-2-silapentane-5-sulfonate, sodium salt;3-(trimethylsilyl)-1-propane sulfonate;3-(trimethylsilyl)propane sulfonic acid;3-(trimethylsilyl)propanesulfonic acid;4,4-dimethyl-4-silapentane-1-sulfonic acid;sodium 4,4-dimethyl-4-silapentane-2-sulfonate

Chemical Property of 3-(Trimethylsilyl)propane-1-sulfonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.079g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 196.05894208
• Heavy Atom Count: 11
• Complexity: 197

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[Si](C)(C)CCCS(=O)(=O)O

Technology Process of 3-(Trimethylsilyl)propane-1-sulfonic acid

There total 2 articles about 3-(Trimethylsilyl)propane-1-sulfonic acid 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: 100.0%

3-(trimethylsilyl)propane-1-thiol (13399-93-4) → 2,2-dimethyl-2-silapentane-5-sulfonic acid (18173-90-5)

Guidance literature:

With peracetic acid; In dichloromethane; for 0.75h; Ambient temperature;

DOI:10.1021/jo00381a020

Reference yield:

(3-chloropropyl)trimethylsilane (2344-83-4) → 2,2-dimethyl-2-silapentane-5-sulfonic acid (18173-90-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 45 percent / thiourea / ethanol / 48 h / Heating

2: 100 percent / peracetic acid / CH₂Cl₂ / 0.75 h / Ambient temperature

With peracetic acid; thiourea; In ethanol; dichloromethane;

DOI:10.1021/jo00381a020

Reference yield: 59.0%

2,2-dimethyl-2-silapentane-5-sulfonic acid (18173-90-5) → 1-(trimethylsilyl)propanesulfonyl chloride

Guidance literature:

With phosphorus pentachloride; In dichloromethane; for 0.25h;

DOI:10.1021/jo00381a020

upstream raw materials:

3-(trimethylsilyl)propane-1-thiol

(3-chloropropyl)trimethylsilane

Refernces