CID 16218526

Base Information

• Chemical Name: CID 16218526
• CAS No.: 22767-49-3
• Molecular Formula: C5H11NaO3S
• Molecular Weight: 174.196
• Hs Code.: 29041000
• Mol file: 22767-49-3.mol

Synonyms:SCHEMBL126580

Chemical Property of CID 16218526

Chemical Property:

• Appearance/Colour: White crystalline powder
• Melting Point: 300 °C
• PSA: 65.58000
• Density: 1.018
• LogP: 1.80260
• Storage Temp.: Store at +5°C to +30°C.
• Solubility.: H2O: soluble0.5M at 20°C, clear, colorless
• Water Solubility.: soluble
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 175.04048470
• Heavy Atom Count: 10
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

Sodium 1-Pentanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36/38
• Safety Statements: 37/39-26-28-36/37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCS(=O)(=O)O.[Na]
• Uses: suzuki reaction Sodium 1-pentanesulfonate is used as a base in the Suzuki coupling reaction. It is used as a surfactant in studies on drug release from the water-in -oil-in-water multiple emulsion process in vitro. It is utilized in the analysis of pharmaceutical products, metabolites, small organic molecule compounds, peptides by RP-HPLC and micellar electrokinetic chromatography.

Technology Process of CID 16218526

There total 4 articles about CID 16218526 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: 61.4%

1-Chloropentane (543-59-9) → sodium pentane-1-sulfonate (22767-49-3)

Guidance literature:

With copper; sodium sulfite; In ethanol; water; for 40h; Reflux;

DOI:10.14233/ajchem.2014.16579

Reference yield:

1-Bromopentane (110-53-2) → sodium pentane-1-sulfonate (22767-49-3)

Guidance literature:

With sodium sulfite; In water; for 24h; Heating;

DOI:10.1016/j.bmcl.2004.07.088

Reference yield:

sodium pentyl sulfate (556-76-3) + sodium sulfite (7757-83-7) → sodium pentane-1-sulfonate (22767-49-3)

Guidance literature:

In water; 110-130°C, 4-5 h;

upstream raw materials:

1-Chloropentane

n-pentanesulphonyl chloride

1-Bromopentane

sodium pentyl sulfate

Downstream raw materials:

amyl iodide

n-pentanesulphonyl chloride

Refernces

• 1、 Castang, Sandra,Chantegrel, Bernard,Deshayes, Christian,Dolmazon, René,Gouet, Patrice,Haser, Richard,Reverchon, Sylvie,Nasser, William,Hugouvieux-Cotte-Pattat, Nicole,Doutheau, Alain. "N-Sulfonyl homoserine lactones as antagonists of bacterial quorum sensing". . p. 5145 - 5149. Retrieved 2007/10/03.