Ethanesulfonic acid

Base Information

• Chemical Name: Ethanesulfonic acid
• CAS No.: 594-45-6
• Molecular Formula: C2H6O3S
• Molecular Weight: 110.134
• Hs Code.: 29041000
• European Community (EC) Number: 209-843-0
• UNII: 599310E3U2
• DSSTox Substance ID: DTXSID5060487
• Nikkaji Number: J136.509F
• Wikipedia: Ethanesulfonic_acid
• Wikidata: Q3560927
• Metabolomics Workbench ID: 56459
• Mol file: 594-45-6.mol

Synonyms:ethane sulfonate;ethanesulfonic acid

Chemical Property of Ethanesulfonic acid

Chemical Property:

• Appearance/Colour: Yellow To Brown Liquid
• Vapor Pressure: 2.45E-07mmHg at 25°C
• Melting Point: -17 °C(lit.)
• Refractive Index: n20/D 1.434(lit.)
• Boiling Point: 394.9 °C at 760 mmHg
• PKA: 1.83±0.50(Predicted)
• Flash Point: >230 °F
• PSA: 62.75000
• Density: 1.375 g/cm³
• LogP: 0.97490
• Storage Temp.: 2-8°C
• Solubility.: water: soluble
• Water Solubility.: soluble
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 110.00376522
• Heavy Atom Count: 6
• Complexity: 105

Purity/Quality:

99% ^*data from raw suppliers

Ethanesulfonic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-35
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Sulfonic Acids, Alkyl
• Canonical SMILES: CCS(=O)(=O)O
• Description: Ethanesulfonic acid (esylic acid) is a sulfonic acid with the chemical formula CH3CH2SO3H. The conjugate base is known as ethanesulfonate or, when used in pharmaceutical formulations, as esilate. It is a colorless liquid.
• Uses: Ethanesulfonic acid is an alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is ethyl, and it is a conjugate acid of an ethanesulfonate. employed in the electrolytic reduction of perrhenate solutions. Ethanesulfonic acid is used as pharmaceutical intermediates, catalyst of polymerization and alkylation. It participates in the electrolytic reduction of perrhenate solutions. Ethanesulfonic acid is employed in the electrolytic reduction of perrhenate solutions. It is also used as a catalyst for alkylation, polymerization and other reactions. Further, it reacts with triethoxymethane to prepare ethanesulfonic acid ethyl ester.

Technology Process of Ethanesulfonic acid

There total 70 articles about Ethanesulfonic 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: 80.0%

Diethyl disulfide (110-81-6) → ethanesulfonic acid (594-45-6)

Guidance literature:

With dihydrogen peroxide; methyltrioxorhenium(VII); In acetonitrile; at 20 ℃; for 0.0166667h;

DOI:10.1016/j.tetlet.2009.09.011

Reference yield:

diethyl sulphite (623-81-4) → ethanesulfonic acid (594-45-6)

Guidance literature:

With alkali halide;

Reference yield:

ethanethiol (75-08-1) → ethanesulfonic acid (594-45-6)

Guidance literature:

With potassium permanganate;

upstream raw materials:

ethylmagnesium iodide

Diethyl disulfide

diethyl sulfate

diethyl sulphide

Downstream raw materials:

sulfoacetic acid

ethanesulfonic anhydride

acetaldehyde

Ethanesulfonyl chloride

Refernces

Synthesis of 9-(2-fluorobenzyl)-6-methylamino-9H-purine

10.1002/jhet.5570230445

The research details the synthesis of 9-(2-fluorobenzyl)-6-methylamino-9H-purine (1), a novel anticonvulsant agent with potent activity against maximal electroshock-induced seizures in rats and mice. The study explores nine different synthetic routes to compound 1, utilizing various precursors such as 6-chloro-9-(2-fluorobenzyl)-9H-purine (4), 6-methylaminopurine (5), and 9-(2-fluorobenzyl)-1-methyladeninium iodide (8). Key chemicals involved in the synthesis process include 5-amino-4,6-dichloropyrimidine, 2-fluorobenzylamine, ethanol, triethylamine, ethanesulfonic acid, and triethylorthoformate, among others. The preferred route was found to be the condensation of 5-amino-4,6-dichloropyrimidine with 2-fluorobenzylamine, followed by a series of reactions including alkylation, amination, and rearrangement, ultimately yielding the desired compound 1. The conclusions of the research highlight the efficiency and adaptability of the chosen synthetic route for preparing compound 1 and its analogues from readily available starting materials.