2,6-Dimethylbenzene-1-sulfonyl chloride

Base Information

• Chemical Name: 2,6-Dimethylbenzene-1-sulfonyl chloride
• CAS No.: 2905-29-5
• Molecular Formula: C8H9ClO2S
• Molecular Weight: 204.677
• Hs Code.: 2904909090
• European Community (EC) Number: 842-564-8
• DSSTox Substance ID: DTXSID40374373
• Nikkaji Number: J1.864.918G
• Wikidata: Q82162935
• Mol file: 2905-29-5.mol

Synonyms:2905-29-5;2,6-DIMETHYLBENZENE-1-SULFONYL CHLORIDE;2,6-dimethylbenzenesulfonyl Chloride;Benzenesulfonyl chloride, 2,6-dimethyl-;2,6-Dimethyl-benzenesulfonyl chloride;2,6-Dimethylbenzene-1-sulfonylchloride;SCHEMBL1500713;DTXSID40374373;MFCD03789123;AKOS015890969;phenylsulfonyl chloride,2,6-dimethyl-;DS-6556;2,6-Dimethylbenzenesulfonic acid chloride;AM100630;CS-0179147;FT-0667321;C74489;EN300-1556044;A876541

Chemical Property of 2,6-Dimethylbenzene-1-sulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.00344mmHg at 25°C
• Refractive Index: 1.538
• Boiling Point: 291.3 °C at 760 mmHg
• Flash Point: 130 °C
• PSA: 42.52000
• Density: 1.29 g/cm³
• LogP: 3.31170
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 204.0011784
• Heavy Atom Count: 12
• Complexity: 232

Purity/Quality:

98%min ^*data from raw suppliers

2,6-DimethylbenzenesulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)S(=O)(=O)Cl
• Uses: An aromatic sulfonic acid chloride as sorbates in gas-liquid chromatography.

Technology Process of 2,6-Dimethylbenzene-1-sulfonyl chloride

There total 3 articles about 2,6-Dimethylbenzene-1-sulfonyl 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: 87.0%

2,6-Dimethylphenyl-N,N-diethylthiocarbamat (18068-10-5) → 2,6-dimethyl-benzene-sulfonyl chloride (2905-29-5)

Guidance literature:

With chlorine; acetic acid; at 0 ℃;

Reference yield: 84.0%

2-Bromo-m-xylene (576-22-7) → 2,6-dimethyl-benzene-sulfonyl chloride (2905-29-5)

Guidance literature:

Reference yield:

2,6-dimethylaniline (87-62-7) → 2,6-dimethyl-benzene-sulfonyl chloride (2905-29-5)

Guidance literature:

Multistep reaction; (i) NaNO₂, aq. HCl, dioxane, (ii) SO₂, CuCl₂, KCl, benzene;

upstream raw materials:

2,6-Dimethylphenyl-N,N-diethylthiocarbamat

2,6-dimethylaniline

2-Bromo-m-xylene

Downstream raw materials:

methyl 4-{2-[1-benzhydryl-5-chloro-2-(2-{[(2,6-dimethylphenyl)sulfonyl]amino}ethyl)-1H-indol-3-yl]ethoxy}benzoate

methyl 4-{3-[1-benzhydryl-5-chloro-2-(2-{[(2,6-dimethylphenyl)sulfonyl]amino}ethyl)-1H-indol-3-yl]propyl}benzoate

bis(2,6-dimethylphenyl)disulfide

C₂₉H₄₀N₄O₅S

Refernces

• 1、 Wagenaar, Anno,Engberts, Jan B. F. N.. "Conversion of sterically hindered phenols into the corresponding N,N-dimethylarenesulfonamides via the Newman-Kwart rearrangement". . p. 91 - 94. Retrieved 2007/10/02.