175712-02-4

  • Product Name:4-Chloro-benzenesulfonic acid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylMethyl-tetrahydro-furan-3-ylMethyl ester
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Product Details

Purity:99%

4-Chloro-benzenesulfonic acid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylMethyl-tetrahydro-furan-3-ylMethyl ester 175712-02-4  In Medicine  In Stock

  • Molecular Formula:C20H18ClF2N3O4S
  • Molecular Weight:469.8894264
  • Vapor Pressure:5.84E-15mmHg at 25°C 
  • Boiling Point:612.9°C at 760 mmHg 
  • PKA:2.75±0.10(Predicted) 
  • Flash Point:324.5°C 
  • PSA:91.69000 
  • Density:1.49g/cm3 
  • LogP:4.62800 

4-Chloro-benzenesulfonic acid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylMethyl-tetrahydro-furan-3-ylMethyl ester(Cas 175712-02-4) Usage

Article

Source

InChI:InChI=1/C20H18ClF2N3O4S/c21-15-1-4-17(5-2-15)31(27,28)30-10-14-8-20(29-9-14,11-26-13-24-12-25-26)18-6-3-16(22)7-19(18)23/h1-7,12-14H,8-11H2/t14-,20-/m0/s1

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175712-02-4 Process route

4-chlorobenzenesulfonyl chloride
98-60-2

4-chlorobenzenesulfonyl chloride

((3R,5R)-5-((1H-1,2,4-triazole-1-yl) methyl)-5-(2,4-difluorophenyl) tetrahydrofuran-3-yl)methanol
160709-02-4

((3R,5R)-5-((1H-1,2,4-triazole-1-yl) methyl)-5-(2,4-difluorophenyl) tetrahydrofuran-3-yl)methanol

((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl 4-chlorobenzenesulfonate
175712-02-4

((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl 4-chlorobenzenesulfonate

Conditions
Conditions Yield
With dmap; In dichloromethane; at 0 - 20 ℃; for 3h;
 
With pyridine; In dichloromethane; at 10 - 20 ℃; for 6h; Reagent/catalyst; Large scale;
1.32 kg
(4S)-3-{[(5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)tetrahydrofuran-3-yl]carbonyl}-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-{[(5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)tetrahydrofuran-3-yl]carbonyl}-4-phenyl-1,3-oxazolidin-2-one

((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl 4-chlorobenzenesulfonate
175712-02-4

((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl 4-chlorobenzenesulfonate

Conditions
Conditions Yield
Multi-step reaction with 5 steps
1.1: sodium tetrahydroborate; lithium bromide / tetrahydrofuran / 0.5 h / 0 - 5 °C / Inert atmosphere; Large scale
2.1: triethylamine / dichloromethane / 6 h / 10 - 20 °C / Large scale
3.1: potassium carbonate / N,N-dimethyl-formamide / 3 h / 20 °C / Large scale
3.2: 12 h / 110 - 115 °C / Large scale
4.1: hydrogenchloride / acetone; water / 3 h / 10 - 15 °C / Large scale
5.1: pyridine / dichloromethane / 6 h / 10 - 20 °C / Large scale
With pyridine; hydrogenchloride; sodium tetrahydroborate; potassium carbonate; triethylamine; lithium bromide; In tetrahydrofuran; dichloromethane; water; N,N-dimethyl-formamide; acetone;
 

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