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

Base Information

• Chemical Name: 4-Chloro-benzenesulfonic acid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylMethyl-tetrahydro-furan-3-ylMethyl ester
• CAS No.: 175712-02-4
• Molecular Formula: C20H18ClF2N3O4S
• Molecular Weight: 469.8894264
• Mol file: 175712-02-4.mol

Synonyms:4-Chloro-benzenesulfonic acid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylMethyl-tetrahydro-furan-3-ylMethyl ester;(3S-cis)-4-Chlorobenzenesulfonic acid [5-(2,4-difluorophenyl)tetrahydro-5-(1H-1,2,4-triazol-1-ylmethyl)-3-furanyl]methyl ester;2,5-Anhydro-4-[[[(4-chlorophenyl)sulfonyl]oxy]methyl]-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol;[(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-3-yl]methyl 4-chlorobenzenesulfonate 4-Chloro-benzenesulfonic acid;[(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetra hydrofuran-3-yl]methyl 4-chlorobenzenesulfonate;((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl4-chlorobenzenesulfonate

Chemical Property of 4-Chloro-benzenesulfonic acid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylMethyl-tetrahydro-furan-3-ylMethyl ester

Chemical Property:

• 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
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

[(3S,5R)-5-(2,4-Difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-3-yl]methyl4-chlorobenzenesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Chloro-benzenesulfonic acid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylMethyl-tetrahydro-furan-3-ylMethyl ester

There total 5 articles about 4-Chloro-benzenesulfonic acid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylMethyl-tetrahydro-furan-3-ylMethyl ester 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:

4-chlorobenzenesulfonyl chloride (98-60-2) + ((3R,5R)-5-((1H-1,2,4-triazole-1-yl) methyl)-5-(2,4-difluorophenyl) tetrahydrofuran-3-yl)methanol (160709-02-4) → ((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl 4-chlorobenzenesulfonate (175712-02-4)

Guidance literature:

With dmap; In dichloromethane; at 0 - 20 ℃; for 3h;

Reference yield:

(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)

Guidance literature:

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;

Reference yield:

((3R,5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)tetrahydrofuran-3-yl)methanol (182210-71-5) → ((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl 4-chlorobenzenesulfonate (175712-02-4)

Guidance literature:

Multi-step reaction with 4 steps

1.1: triethylamine / dichloromethane / 6 h / 10 - 20 °C / Large scale

2.1: potassium carbonate / N,N-dimethyl-formamide / 3 h / 20 °C / Large scale

2.2: 12 h / 110 - 115 °C / Large scale

3.1: hydrogenchloride / acetone; water / 3 h / 10 - 15 °C / Large scale

4.1: pyridine / dichloromethane / 6 h / 10 - 20 °C / Large scale

With pyridine; hydrogenchloride; potassium carbonate; triethylamine; In dichloromethane; water; N,N-dimethyl-formamide; acetone;

upstream raw materials:

4-chlorobenzenesulfonyl chloride

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

((3R,5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)tetrahydrofuran-3-yl)methanol