2,4,6-Triisopropylbenzenesulfonic acid

Base Information

• Chemical Name: 2,4,6-Triisopropylbenzenesulfonic acid
• CAS No.: 63877-57-6
• Molecular Formula: C15H24O3S
• Molecular Weight: 284.42
• European Community (EC) Number: 846-283-1
• DSSTox Substance ID: DTXSID90434411
• Nikkaji Number: J1.039.176H
• Wikidata: Q27456663
• Pharos Ligand ID: L5X7JZKMVXF3
• ChEMBL ID: CHEMBL3400157

Synonyms:2,4,6-triisopropylbenzenesulfonic acid;63877-57-6;2,4,6-Tri(Propan-2-Yl)benzenesulfonic Acid;CHEMBL3400157;75D;Benzenesulfonic acid, 2,4,6-tris(1-methylethyl)-;SCHEMBL86091;DTXSID90434411;YHGKEORTCHVBQH-UHFFFAOYSA-N;BDBM50063854;MFCD00544490;2,4,6-triisopropylbenzenesulfonicacid;BS-32659;CS-0212712;F71369;2,4,6-tris(propan-2-yl)benzene-1-sulfonic acid;Q27456663

Chemical Property of 2,4,6-Triisopropylbenzenesulfonic acid

Chemical Property:

• PSA: 62.75000
• Density: 1.083±0.06 g/cm3(Predicted)
• LogP: 5.38430
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 284.14461580
• Heavy Atom Count: 19
• Complexity: 361

Purity/Quality:

99% ^*data from raw suppliers

2,4,6-Triisopropylbenzenesulfonicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)O)C(C)C

Technology Process of 2,4,6-Triisopropylbenzenesulfonic acid

There total 3 articles about 2,4,6-Triisopropylbenzenesulfonic 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: 99.0%

2,4,6-triisopropylphenylsulfonyl chloride (6553-96-4) → 2,4,6-tri(iso-propyl)benzenesulfonic acid (63877-57-6)

Guidance literature:

In 1,4-dioxane; water; at 100 ℃; for 5h;

DOI:10.1021/acs.orglett.9b03000

Reference yield:

2,4,6-triisopropyl-benzenesulfonic acid n-hexylester (82965-03-5) → 2,4,6-tri(iso-propyl)benzenesulfonic acid (63877-57-6) + hexan-1-ol (111-27-3)

Guidance literature:

In methanol; sodium hydroxide; at 40 ℃; Rate constant;

Reference yield:

1,3,5-triisopropyl benzene (717-74-8) → 2,4,6-tri(iso-propyl)benzenesulfonic acid (63877-57-6)

Guidance literature:

With sulfuric acid;

upstream raw materials:

1,3,5-triisopropyl benzene

2,4,6-triisopropylphenylsulfonyl chloride

2,4,6-triisopropyl-benzenesulfonic acid n-hexylester

Downstream raw materials:

2,4,6-Triisopropyl-benzenesulfonic acid 2-oxo-pentyl ester

silver(I) 2,4,6-tri(iso-propyl)benzenesulfonate

(1R,2R)-N,N'-bis(2,4,6-triisopropylbenzenesulfonyl)-cyclohexane-1,2-diamine

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