1-Pentanesulfonic acid

Base Information

• Chemical Name: 1-Pentanesulfonic acid
• CAS No.: 35452-30-3
• Molecular Formula: C5H12O3S
• Molecular Weight: 152.214
• Hs Code.: 2904100000
• DSSTox Substance ID: DTXSID90188967
• Nikkaji Number: J323.649H
• Wikidata: Q83060851
• Mol file: 35452-30-3.mol

Synonyms:1-pentanesulfonic acid;1-pentanesulfonic acid, sodium salt;sodium 1-pentanesulfonate

Chemical Property of 1-Pentanesulfonic acid

Chemical Property:

• Refractive Index: 1.46
• PSA: 62.75000
• Density: 1.174 g/cm³
• LogP: 2.14520
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 152.05071541
• Heavy Atom Count: 9
• Complexity: 142

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCS(=O)(=O)O

Technology Process of 1-Pentanesulfonic acid

There total 3 articles about 1-Pentanesulfonic 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:

diamyl sulfite (2051-05-0) → dipentyl ether (693-65-2) + pentan-1-ol (71-41-0) + 1-penten (109-67-1) + 1-pentanesulfonic acid (35452-30-3)

Guidance literature:

at 250 ℃;

DOI:10.1021/ja01634a001

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:

pentane (109-66-0,8031-35-4,9078-70-0) → 2-pentanesulfonic acid (7433-51-4) + 3-pentanesulfonic acid (51650-30-7) + 1-pentanesulfonic acid (35452-30-3)

Guidance literature:

With formic acid; sulfur dioxide; hydrogen; dihydrogen peroxide; mercury; Yield given. Multistep reaction. Yields of byproduct given; 1.) 35 deg C, irradiation 2.) 40 deg C;

DOI:10.1021/jo00019a006

upstream raw materials:

ethyl 1-pentanesulfonate

pentane

diamyl sulfite

Downstream raw materials:

methyl 1-pentanesulfonate

ethyl 1-pentanesulfonate

1-pentylsulfonamide

n-pentanesulphonyl chloride

Refernces

• 1、 Ohta,Kohda,Kimoto,Okano,Kawazoe. "Cytotoxicity of fluorine-containing alkyl alkanesulfonates to cultured leukemia L1210 cells". . p. 2410 - 2416. Retrieved 2007/10/02.