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865352-01-8

Basic Information
CAS No.: 865352-01-8
Name: 2-(2,2-difluoroethoxy)-6-(trifluoroMethyl)benzene-1-sulfonyl chloride
Article Data: 11
Molecular Structure:
Molecular Structure of 865352-01-8 (2-(2,2-difluoroethoxy)-6-(trifluoroMethyl)benzene-1-sulfonyl chloride)
Formula: C9H6ClF5O3S
Molecular Weight: 324.656
Synonyms: 2-(2,2-difluoroethoxy)-6-(trifluoromethyl)benzene-1-sulfonyl chloride;2-(2,2-difluoroethyl)-4-trifluoromethylbenzenesulfonyl chloride;QC-4924;Benzenesulfonyl chloride,2-(2,2-difluoroethoxy)-6-(trifluoromethyl);2-(2,2-difluoroethoxy)-6-trifluoromethylbenzenesulfonyl chloride;
Density: 1.535±0.06 g/cm3(Predicted)
Melting Point: 70-72 °C
Boiling Point: 341.1±42.0 °C(Predicted)
PSA: 51.75000
LogP: 4.35760
Synthetic route
924647-38-1

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

865352-01-8

2-(2',2'-difluoroethoxy)-6-trifluoromethylbenzene-1-sulfonyl chloride

Conditions
ConditionsYield
With chlorine; acetic acid In water at 45 - 55℃;100%
With chlorine; acetic acid In water at 45 - 55℃; for 2h;98%
With chlorine In formic acid at 35 - 40℃; Solvent; Temperature;95.3%

2-(2,2-difluoroethoxy)- 6-trifluoromethylanisole

865352-01-8

2-(2',2'-difluoroethoxy)-6-trifluoromethylbenzene-1-sulfonyl chloride

Conditions
ConditionsYield
With chlorine; acetic acid In water at 45 - 55℃; for 2h;94%

C18H12F10O2S2

865352-01-8

2-(2',2'-difluoroethoxy)-6-trifluoromethylbenzene-1-sulfonyl chloride

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

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

865352-01-8

2-(2',2'-difluoroethoxy)-6-trifluoromethylbenzene-1-sulfonyl chloride

Conditions
ConditionsYield
Stage #1: 1-(2,2-difluoroethoxy)-3-(trifluoromethyl)benzene With n-butyllithium; N,N,N,N,-tetramethylethylenediamine In tetrahydrofuran at -78℃; for 2h;
Stage #2: With sulfuryl dichloride In tetrahydrofuran at 20℃; for 4h; Reagent/catalyst;
82%

C11H11F5OS

865352-01-8

2-(2',2'-difluoroethoxy)-6-trifluoromethylbenzene-1-sulfonyl chloride

Conditions
ConditionsYield
With hydrogenchloride; chlorine In water; 1,2-dichloro-ethane at 50 - 55℃; for 6h;80.5%

C16H13F5OS

865352-01-8

2-(2',2'-difluoroethoxy)-6-trifluoromethylbenzene-1-sulfonyl chloride

Conditions
ConditionsYield
With hydrogenchloride; chlorine In dichloromethane; water at 30 - 40℃; for 6h;79.3%
924647-38-1

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

A

865352-01-8

2-(2',2'-difluoroethoxy)-6-trifluoromethylbenzene-1-sulfonyl chloride

B

propyl 2-(2,2-Difluoroethyl)-4-trifluoromethylbenzenesulfone

Conditions
ConditionsYield
With chlorine In water at 50℃; Solvent; Temperature;A 78%
B 12%

2-fluoro-6-trifluoromethyl-n-propylsulfanylbenzene

865352-01-8

2-(2',2'-difluoroethoxy)-6-trifluoromethylbenzene-1-sulfonyl chloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: sodium / 1,4-dioxane / Reflux
1.2: 2 h / Reflux
2.1: chlorine; acetic acid / water
View Scheme
401-80-9

3-fluoro-trifluoromethylbenzene

865352-01-8

2-(2',2'-difluoroethoxy)-6-trifluoromethylbenzene-1-sulfonyl chloride

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: n-butyllithium / tetrahydrofuran / 0.5 h / -78 - -70 °C / Inert atmosphere
1.2: 1 h / -70 °C / Inert atmosphere
2.1: sodium / 1,4-dioxane / Reflux
2.2: 2 h / Reflux
3.1: chlorine; acetic acid / water
View Scheme
39974-35-1

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

865352-01-8

2-(2',2'-difluoroethoxy)-6-trifluoromethylbenzene-1-sulfonyl chloride

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: potassium carbonate / N,N-dimethyl-formamide / 4 h / 50 °C
2: tetrabutyl ammonium fluoride / dimethyl sulfoxide / 3 h / 85 °C
3: sodium hydride / N,N-dimethyl-formamide
4: sodium hydrogensulfite; formic acid / 1.5 h / 23 - 37 °C
View Scheme
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