2-Methylpropane-2-sulfonic acid

Base Information

• Chemical Name: 2-Methylpropane-2-sulfonic acid
• CAS No.: 16794-13-1
• Molecular Formula: C4H10O3S
• Molecular Weight: 138.188
• DSSTox Substance ID: DTXSID50328382
• Nikkaji Number: J1.263.735G
• Wikidata: Q27466735
• Mol file: 16794-13-1.mol

Synonyms:2-methylpropane-2-sulfonic acid;2-Propanesulfonic acid, 2-methyl-;16794-13-1;SCHEMBL28624;2-methyl-2-propanesulfonic acid;DTXSID50328382;CS-0529765;EN300-1576956;Q27466735

Chemical Property of 2-Methylpropane-2-sulfonic acid

Chemical Property:

• Melting Point: 113 °C
• Boiling Point: 173 °C(Press: 1.5 Torr)
• PSA: 62.75000
• Density: 1.2180 g/cm3(Temp: 25 °C)
• LogP: 1.75350
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 138.03506535
• Heavy Atom Count: 8
• Complexity: 155

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)S(=O)(=O)O

Technology Process of 2-Methylpropane-2-sulfonic acid

There total 5 articles about 2-Methylpropane-2-sulfonic 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%

S-tert-butyl hexanethioate (71385-32-5) → 2-methylpropane-2-sulfinic acid (29099-08-9) + t-butylsulfonic acid (16794-13-1) + hexanoic acid (142-62-1)

Guidance literature:

With water; lithium bromide; In acetonitrile; electrolysis; further conditions: LiCl, electrolysis;

DOI:10.1039/c39840001619

Reference yield: 94.0%

S-tert-butyl benzothioate (13291-44-6) → 2-methylpropane-2-sulfinic acid (29099-08-9) + t-butylsulfonic acid (16794-13-1) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With tetrabutylammomium bromide; water; In acetonitrile; electrolysis;

DOI:10.1039/c39840001619

Reference yield: 94.0%

S-tert-butyl cyclohexanecarbothioate (54829-37-7) → 2-methylpropane-2-sulfinic acid (29099-08-9) + t-butylsulfonic acid (16794-13-1) + Cyclohexanecarboxylic acid (98-89-5)

Guidance literature:

With tetrabutylammomium bromide; water; In acetonitrile; electrolysis; further conditions: LiBr, electrolysis;

DOI:10.1039/c39840001619

upstream raw materials:

S-tert-butyl cyclohexanecarbothioate

S-tert-butyl benzothioate

S-tert-butyl hexanethioate

di-tert-butyl disulfide

Downstream raw materials:

p-Tolylsulfonylmethyl-tert-butansulfonat