2,4,6-Trimethyl-1,3-benzenedisulfonic acid

Base Information

• Chemical Name: 2,4,6-Trimethyl-1,3-benzenedisulfonic acid
• CAS No.: 25331-56-0
• Molecular Formula: C₉H₁₂O₆S₂
• Molecular Weight: 280.323
• DSSTox Substance ID: DTXSID701267765
• Nikkaji Number: J1.538.571E
• Mol file: 25331-56-0.mol

Synonyms:2,4,6-Trimethyl-1,3-benzenedisulfonic acid;Mesitylendisulfosaure;25331-56-0;SCHEMBL2869064;DTXSID701267765

Chemical Property of 2,4,6-Trimethyl-1,3-benzenedisulfonic acid

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 280.00753045
• Heavy Atom Count: 17
• Complexity: 425

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2,4,6-Trimethyl-1,3-benzenedisulfonic acid

There total 3 articles about 2,4,6-Trimethyl-1,3-benzenedisulfonic 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:

1,3,5-trimethyl-benzene (108-67-8) → 2,4,6-trimethylbenzene-1,3-disulfonic acid (25331-56-0)

Guidance literature:

With chlorosulfonic acid; In chloroform; at -15 ℃; for 0.25h;

DOI:10.1021/ja0030257

Reference yield:

3-Chlorosulfonyl-2,4,6-trimethyl-benzenesulfonic acid → 2,4,6-trimethylbenzene-1,3-disulfonic acid (25331-56-0)

Guidance literature:

With sodium acetate; acetic acid; at 25 ℃; Rate constant; k = 1.32E-4/sec;

Reference yield:

mesitylene sulfonic acid (3453-83-6) + 1,2,3,4,5-pentamethylbenzene-6-sulfonic acid (99861-57-1) → 2,3,4,5-tetramethylbenzene-1-sulfonic acid (4681-79-2) + 2,4,6-trimethylbenzene-1,3-disulfonic acid (25331-56-0)

Guidance literature:

With sulfuric acid; at 25 ℃; for 166h; Product distribution; under homogeneous conditions; other time;

upstream raw materials:

mesitylene sulfonic acid

1,2,3,4,5-pentamethylbenzene-6-sulfonic acid

1,3,5-trimethyl-benzene

Downstream raw materials:

mesitylene sulfonic acid