1-Butanesulfonic acid

Base Information

• Chemical Name: 1-Butanesulfonic acid
• CAS No.: 2386-47-2
• Molecular Formula: C4H10 O3 S
• Molecular Weight: 138.188
• Hs Code.: 2904100000
• European Community (EC) Number: 219-198-7
• UNII: 7R6VP78CYD
• DSSTox Substance ID: DTXSID3062364
• Nikkaji Number: J216.024B
• Wikidata: Q27131500
• Metabolomics Workbench ID: 61917
• Mol file: 2386-47-2.mol

Synonyms:1-butanesulfonic acid;1-butanesulfonic acid sodium salt

Chemical Property of 1-Butanesulfonic acid

Chemical Property:

• Melting Point: -15.1°C
• Refractive Index: 1.4640 (estimate)
• Boiling Point: 138 - 142 C at 0.3 mm Hg
• PKA: 1.92±0.50(Predicted)
• PSA: 62.75000
• Density: 1.1850
• LogP: 1.75510
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 138.03506535
• Heavy Atom Count: 8
• Complexity: 130

Purity/Quality:

98% ^*data from raw suppliers

1-BUTANESULFONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Sulfonic Acids, Alkyl
• Canonical SMILES: CCCCS(=O)(=O)O

Technology Process of 1-Butanesulfonic acid

There total 28 articles about 1-Butanesulfonic 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: 96.0%

n-butanethiol (109-79-5) → butane-1-sulfonic acid (2386-47-2)

Guidance literature:

With dihydrogen peroxide; trichlorophosphate; In water; at 80 ℃; for 0.833333h; Micellar solution;

DOI:10.1055/s-0031-1289628

Reference yield: 88.0%

1-(butane-1-ylsulfonoyloxy)-2(1H)-quinolone (1404369-06-7) → butane-1-sulfonic acid (2386-47-2) + 2-quinolone (59-31-4,70254-42-1,493-62-9)

Guidance literature:

In methanol; water; Quantum yield; UV-irradiation; Photolysis;

DOI:10.1002/chem.201104065

Reference yield: 87.0%

dibutyl disulfide (629-45-8) → butane-1-sulfonic acid (2386-47-2)

Guidance literature:

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

DOI:10.1016/j.tetlet.2009.09.011

upstream raw materials:

1-bromo-butane

n-butylthiocyanate

n-butanethiol

n-Butyl chloride

Downstream raw materials:

perfluoro-1-butanesulfonyl fluoride

dibutyl disulfide

2-Methoxy-6-<(methylthio)methyl>aniline

N-(p-chloro-α,α,α-trifluoro-o-tolyl)S,S-dimethylsulfilimine

Refernces

• 1、 Ikbal, Mohammed,Banerjee, Rakesh,Atta, Sanghamitra,Jana, Avijit,Dhara, Dibakar,Anoop, Anakuthil,Singh, N. D. Pradeep. "Development of 1-Hydroxy-2(1H)-quinolone-Based Photoacid Generators and Photoresponsive Polymer Surfaces". . p. 11968 - 11975. Retrieved 2012/10/29.
• 2、 Ikbal, Mohammed,Jana, Avijit,Singh, N.D. Pradeep,Banerjee, Rakesh,Dhara, Dibakar. "Photoacid generators (PAGs) based on N-acyl-N-phenylhydroxylamines for carboxylic and sulfonic acids". experimental part. p. 3733 - 3742. Retrieved 2011/06/21.