2,3,5,6-Tetramethylbenzenesulfonyl chloride

Base Information

• Chemical Name: 2,3,5,6-Tetramethylbenzenesulfonyl chloride
• CAS No.: 60706-63-0
• Molecular Formula: C10H13ClO2S
• Molecular Weight: 232.731
• Hs Code.: 29049095
• DSSTox Substance ID: DTXSID20209533
• Wikidata: Q83083852
• Mol file: 60706-63-0.mol

Synonyms:60706-63-0;2,3,5,6-Tetramethylbenzenesulfonyl chloride;2,3,5,6-tetramethylbenzene-1-sulfonyl chloride;2,3,5,6-Tetramethylbenzenesulphonyl chloride;durylsulphonyl chloride;2,3,5,6-TetraMethyl-Benzenesulfonyl Chloride;LCZC1583;SCHEMBL1021882;DTXSID20209533;MFCD00014723;AKOS000813751;AS-66042;BP-12564;2,3,5,6-tetramethylphenylsulfonyl chloride;FT-0609439;Benzenesulfonylchloride,2,3,5,6-tetramethyl-;EN300-01721;E78140;Benzenesulfonyl chloride, 2,3,5,6-tetramethyl-;A832850;2,3,5,6-Tetramethylbenzenesulfonyl chloride, AldrichCPR;F9995-0417

Chemical Property of 2,3,5,6-Tetramethylbenzenesulfonyl chloride

Chemical Property:

• Appearance/Colour: white to pale cream crystalline powder
• Vapor Pressure: 0.000137mmHg at 25°C
• Melting Point: 97-101 °C
• Refractive Index: 1.528
• Boiling Point: 343.8 °C at 760 mmHg
• Flash Point: 161.7 °C
• PSA: 42.52000
• Density: 1.217 g/cm³
• LogP: 3.92850
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Moisture Sensitive
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 232.0324785
• Heavy Atom Count: 14
• Complexity: 280

Purity/Quality:

99% ^*data from raw suppliers

2,3,5,6-Tetramethylbenzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi
• Statements: 34-29-36
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1C)S(=O)(=O)Cl)C)C

Technology Process of 2,3,5,6-Tetramethylbenzenesulfonyl chloride

There total 1 articles about 2,3,5,6-Tetramethylbenzenesulfonyl chloride 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: 85.0%

1,2,4,5-tetramethylbenzene (95-93-2) → 2,3,5,6-tetramethyl-benzene-1-sulfonyl chloride (60706-63-0)

Guidance literature:

With chlorosulfonic acid; sodium chloride; In tetrachloromethane; hexane; chloroform; at 0 ℃;

DOI:10.1002/poc.3588

Reference yield: 100.0%

2,3,5,6-tetramethyl-benzene-1-sulfonyl chloride (60706-63-0) + methyl 3-(4-amino-3-bromo-1-naphthyl)benzoate → tert-butyl 3-(2-bromo-4-(2,3,5,6-tetramethylphenylsulfonamido)naphthalen-1-yl)benzoate

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃;

Reference yield: 99.0%

2,3,5,6-tetramethyl-benzene-1-sulfonyl chloride (60706-63-0) + salicylaldehyde (90-02-8) → C17H18O4S

Guidance literature:

With triethylamine; In dichloromethane; for 24h; Reflux;

DOI:10.1080/24701556.2020.1852423

upstream raw materials:

1,2,4,5-tetramethylbenzene

Downstream raw materials:

2,3,5,6-tetramethylthiophenol

2,3,5,6-tetramethylbenzenesulfonamide

C₂₃H₂₅N₃O₂S

2,3,5,6-tetramethylbenzene-1-sulfonyl azide

Refernces

• 1、 Iazykov, Mykyta,Canle, Moisés,Santaballa, J. Arturo,Rublova, Ludmila. "Propanolysis of arenesulfonyl chlorides: Nucleophilic substitution at sulfonyl sulfur". supporting information. . Retrieved 2017/09/08.