4-Tert-butyl-2,6-dimethylbenzenesulfonic acid

Base Information

• Chemical Name: 4-Tert-butyl-2,6-dimethylbenzenesulfonic acid
• CAS No.: 28188-48-9
• Molecular Formula: C₁₂H₁₈O₃S
• Molecular Weight: 242.339
• DSSTox Substance ID: DTXSID501207606
• Mol file: 28188-48-9.mol

Synonyms:28188-48-9;SCHEMBL10750846;DTXSID501207606;4-(1,1-Dimethylethyl)-2,6-dimethylbenzenesulfonic acid

Chemical Property of 4-Tert-butyl-2,6-dimethylbenzenesulfonic acid

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 242.09766561
• Heavy Atom Count: 16
• Complexity: 322

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1S(=O)(=O)O)C)C(C)(C)C

Technology Process of 4-Tert-butyl-2,6-dimethylbenzenesulfonic acid

There total 7 articles about 4-Tert-butyl-2,6-dimethylbenzenesulfonic 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:

5-tert-Butyl-m-xylene (98-19-1) → 4-tert-butyl-2,6-dimethyl-benzenesulfonic acid (28188-48-9)

Guidance literature:

With sulfuric acid; water;

Reference yield:

4-tert-butyl-2,6-dimethylbenzene-1-sulfonyl chloride (70823-04-0) → 4-tert-butyl-2,6-dimethyl-benzenesulfonic acid (28188-48-9)

Guidance literature:

With water; In 1,4-dioxane; at 29.9 ℃; Rate constant; Mechanism; Thermodynamic data; kinetics; other temperatures; ΔH(excit.), ΔS(excit.);

Reference yield:

4-tert-butyl-2,6-dimethylacetophenone (2040-10-0) → 4-tert-butyl-2,6-dimethyl-benzenesulfonic acid (28188-48-9)

Guidance literature:

With sulfuric acid; water;

upstream raw materials:

5-tert-Butyl-m-xylene

4-tert-butyl-2,6-dimethylacetophenone

4-tert-butyl-2,6-dimethylbenzene-1-sulfonyl chloride

m-xylene