2-(2,2-Difluoroethoxy)-6-(trifluoromethyl)benzene-1-sulfonyl chloride

Base Information

• Chemical Name: 2-(2,2-Difluoroethoxy)-6-(trifluoromethyl)benzene-1-sulfonyl chloride
• CAS No.: 865352-01-8
• Molecular Formula: C9H6ClF5O3S
• Molecular Weight: 324.656
• Hs Code.: 2909309090
• European Community (EC) Number: 881-588-3
• DSSTox Substance ID: DTXSID90581555
• Wikidata: Q82472734
• Mol file: 865352-01-8.mol

Synonyms:865352-01-8;2-(2,2-difluoroethoxy)-6-(trifluoromethyl)benzene-1-sulfonyl chloride;2-(2,2-difluoroethoxy)-6-(trifluoromethyl)benzenesulfonyl chloride;Benzenesulfonyl chloride, 2-(2,2-difluoroethoxy)-6-(trifluoromethyl)-;MFCD26142688;C9H6ClF5O3S;SCHEMBL4394385;DTXSID90581555;AKOS028114713;BS-17741;SY317541;CS-0199249;D81435;EN300-6763664;2-(2,2-difluoro-ethoxy)-6-(trifluoromethyl)benzenesulfonyl chloride;2-(2,2-Difluoroethoxy)-6-(trifluoromethyl)benzenesulphonyl chloride

Chemical Property of 2-(2,2-Difluoroethoxy)-6-(trifluoromethyl)benzene-1-sulfonyl chloride

Chemical Property:

• Melting Point: 70-72 °C
• Boiling Point: 341.1±42.0 °C(Predicted)
• PSA: 51.75000
• Density: 1.535±0.06 g/cm3(Predicted)
• LogP: 4.35760
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 323.9646337
• Heavy Atom Count: 19
• Complexity: 392

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(2,2-Difluoroethoxy)-6-(trifluoromethyl)benzene-1-sulfonyl chloride

There total 31 articles about 2-(2,2-Difluoroethoxy)-6-(trifluoromethyl)benzene-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: 94.0%

2-(2,2-difluoroethoxy)-6-trifluoromethyl-thioanisole → 2-(2',2'-difluoroethoxy)-6-trifluoromethylbenzene-1-sulfonyl chloride (865352-01-8)

Guidance literature:

With chlorine; acetic acid; In water; at 45 - 55 ℃; for 2h;

Reference yield: 90.0%

C18H12F10O2S2 → 2-(2',2'-difluoroethoxy)-6-trifluoromethylbenzene-1-sulfonyl chloride (865352-01-8)

Guidance literature:

With potassium permanganate; sulfuryl dichloride; In acetonitrile; at 90 ℃; for 1h; Concentration; Reagent/catalyst; Solvent; Temperature;

Reference yield: 82.0%

1-(2,2-difluoroethoxy)-3-(trifluoromethyl)benzene → 2-(2',2'-difluoroethoxy)-6-trifluoromethylbenzene-1-sulfonyl chloride (865352-01-8)

Guidance literature:

1-(2,2-difluoroethoxy)-3-(trifluoromethyl)benzene; With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; at -78 ℃; for 2h;

With sulfuryl dichloride; In tetrahydrofuran; at 20 ℃; for 4h; Reagent/catalyst;

upstream raw materials:

1-(2,2-difluoroethoxy)-2-(propylsulphanyl)-3-(trifluoromethyl)benzene

3-fluoro-trifluoromethylbenzene

2-chloro-1-nitro-3-(trifluoromethyl)benzene

2-(3-(trifluoromethyl)phenoxy)tetrahydro-2H-pyran

Downstream raw materials:

penoxsulam

Refernces

• 1、 Wang, Chen,Hamilton, Christopher,Meister, Phillip,Menning, Catherine. "Improved process for chloroxidation of aryl sulfides to aryl sulfonyl chlorides in commercial grade formic acid". . p. 52 - 55. Retrieved 2007.
• 2、 -. "Synthesis method for 2-(2,2-difluoroethoxy)-6-(trifluoromethyl)benzenesulfonyl chloride". . . Retrieved 2020/02/14.