2,6-Dimethylbenzeneethanesulfonyl chloride

Base Information

• Chemical Name: 2,6-Dimethylbenzeneethanesulfonyl chloride
• CAS No.: 88106-96-1
• Molecular Formula: C₁₀H₁₃ClO₂S
• Molecular Weight: 232.731
• DSSTox Substance ID: DTXSID301266884

Synonyms:88106-96-1;2,6-Dimethylbenzeneethanesulfonyl chloride;DTXSID301266884;AKOS006336568;EN300-1987081;2-(2,6-dimethylphenyl)ethane-1-sulfonyl chloride

Chemical Property of 2,6-Dimethylbenzeneethanesulfonyl chloride

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 232.0324785
• Heavy Atom Count: 14
• Complexity: 258

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)CCS(=O)(=O)Cl

Technology Process of 2,6-Dimethylbenzeneethanesulfonyl chloride

There total 1 articles about 2,6-Dimethylbenzeneethanesulfonyl 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:

2,6-dimethyl-β-phenethyl bromide (79927-86-9) → 2,6-dimethyl-β-phenethylsulfonyl chloride (88106-96-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 79.5 percent / Na₂SO₃ / aq. ethanol; H₂O

2: 85 percent / SOCl₂ / benzene; dimethylformamide

With thionyl chloride; sodium sulfite; In ethanol; water; N,N-dimethyl-formamide; benzene;

DOI:10.1021/jo00212a013

Reference yield: 94.0%

2,6-dimethyl-β-phenethylsulfonyl chloride (88106-96-1) → 2,6-dimethyl-β-phenethylsulfonamide (96129-76-9)

Guidance literature:

With ammonium hydroxide;

DOI:10.1021/jo00212a013

Reference yield: 87.3%

2,6-dimethyl-β-phenethylsulfonyl chloride (88106-96-1) → 2,6-dimethyl-β-phenethylsulfonyl azide (88106-82-5)

Guidance literature:

With sodium azide; In water; acetone;

DOI:10.1021/jo00178a022

upstream raw materials:

2,6-dimethyl-β-phenethyl bromide

Downstream raw materials:

2,6-dimethyl-β-phenethylsulfonyl azide

2,6-dimethyl-β-phenethylsulfonamide

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