1-Pentanesulfonic acid, ethyl ester

Base Information

• Chemical Name: 1-Pentanesulfonic acid, ethyl ester
• CAS No.: 91284-44-5
• Molecular Formula: C7H16O3S
• Molecular Weight: 180.268
• DSSTox Substance ID: DTXSID50238477
• Wikidata: Q83120782
• Mol file: 91284-44-5.mol

Synonyms:1-Pentanesulfonic acid, ethyl ester;91284-44-5;Ethyl 1-pentanesulfonate;SCHEMBL8817616;DTXSID50238477

Chemical Property of 1-Pentanesulfonic acid, ethyl ester

Chemical Property:

• Vapor Pressure: 0.00756mmHg at 25°C
• Boiling Point: 277.6°C at 760 mmHg
• Flash Point: 121.7°C
• Density: 1.051g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 180.08201554
• Heavy Atom Count: 11
• Complexity: 167

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCS(=O)(=O)OCC

Technology Process of 1-Pentanesulfonic acid, ethyl ester

There total 1 articles about 1-Pentanesulfonic acid, ethyl ester 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-pentanesulfonic acid (35452-30-3) + ethyl iodide (75-03-6) → ethyl 1-pentanesulfonate (91284-44-5)

Guidance literature:

With silver(l) oxide; Yield given. Multistep reaction; 1) acetonitrile; 2) acetonitrile, RT, 24 h;

DOI:10.1248/cpb.32.1326

Reference yield:

ethyl 1-pentanesulfonate (91284-44-5) → ethanol (64-17-5) + 1-pentanesulfonic acid (35452-30-3)

Guidance literature:

With water; In dimethyl sulfoxide; at 37 ℃; Rate constant; phosphate buffer, pH = 7.4;

DOI:10.1248/cpb.36.2410

Reference yield:

4-Nitrobenzylpyridin (1083-48-3) + ethyl 1-pentanesulfonate (91284-44-5) → Pentane-1-sulfonate1-ethyl-4-(4-nitro-benzyl)-pyridinium;

Guidance literature:

With phosphate buffer; water; In acetone; at 37 ℃; Product distribution; pH 6.0;

DOI:10.1248/cpb.32.1326

upstream raw materials:

1-pentanesulfonic acid

ethyl iodide

Downstream raw materials:

ethanol

1-pentanesulfonic acid

Refernces