CID 16213778

Base Information

• Chemical Name: CID 16213778
• CAS No.: 22767-50-6
• Molecular Formula: C7H15NaO3S
• Molecular Weight: 202.25
• Hs Code.: 29041000
• Mol file: 22767-50-6.mol

Synonyms:SCHEMBL61429

Chemical Property of CID 16213778

Chemical Property:

• Appearance/Colour: White, odourless powder or crystals
• Melting Point: >300 °C(lit.)
• PSA: 65.58000
• Density: 1.017 g/cm
• LogP: 2.58280
• Storage Temp.: Store at +15°C to +25°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: 6
• Exact Mass: 203.07178482
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

Sodium 1-heptanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-43
• Safety Statements: 37/39-26-36/37-36-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCS(=O)(=O)O.[Na]
• Description: Sodium 1-heptanesulfonate is used as an ion-pairing reagent for HPLC, including analyses of peptides and proteins. The anionic sulfonate counterion permits the separation and resolution of positively charged analytes. It is utilized in the analysis of both organic and inorganic small molecule compounds. HPLC analysis of many pharmaceutical products or metabolites commonly incorporates sodium 1-heptanesulfonate. It is also utilized in high performance capillary electrophoresis analysis of peptides.
• Uses: suzuki reaction Sodium 1-Heptanesulfonate is a reactant used in the preparation of surfactants for detergents or emulsifiers. Potential use in cancer therapy through NRF2-ARE interaction. Sodium 1-heptanesulfonate may be used as an ion-pairing reagent for the determination of ethambutol in pharmaceutical dosage forms by ion-pair reversed phase liquid chromatography with UV detection.

Technology Process of CID 16213778

There total 3 articles about CID 16213778 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:

1-Chloroheptane (629-06-1) → sodium heptanesulfonate (22767-50-6)

Guidance literature:

With water; sodium sulfite; at 200 ℃;

DOI:10.1246/bcsj.32.850

Reference yield:

1-Bromoheptane (629-04-9) → sodium heptanesulfonate (22767-50-6)

Guidance literature:

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

DOI:10.1016/j.bmcl.2004.07.088

Reference yield:

n-heptane (142-82-5) → sodium heptanesulfonate (22767-50-6)

Guidance literature:

n-heptane; With P₂₅; sulfur dioxide; oxygen; for 5h; Irradiation;

With sodium hydroxide; In methanol; Reagent/catalyst; Solvent; chemoselective reaction; Mechanism;

DOI:10.1002/cplu.201200097

upstream raw materials:

1-Chloroheptane

1-Bromoheptane

n-heptane

Downstream raw materials:

heptanesulfonyl 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.