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| | 4-Chloro-benzenesulfonic acid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylMethyl-tetrahydro-furan-3-ylMethyl ester Basic information |
| Product Name: | 4-Chloro-benzenesulfonic acid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylMethyl-tetrahydro-furan-3-ylMethyl ester | | Synonyms: | 4-Chloro-benzenesulfonic acid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylMethyl-tetrahydro-furan-3-ylMethyl ester;(3S,5R)-5-(2,4-difluoro-phenyl)-5-1,2,4triazol-1-ylmethyl-tetrahydro-furan-3-ylmethyl 4-chlorobenzenesulfote;4-Chloro-benzenesulfonic acid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylMethyl-tetrahydro-furan-3-ylMethyl esterChemicalBook;4-Chloro-benzenesulfonic acid 5-(2;4-difluoro-phenyl)-5-[1;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 | | CAS: | 175712-02-4 | | MF: | C20H18ClF2N3O4S | | MW: | 469.89 | | EINECS: | 605-760-2 | | Product Categories: | | | Mol File: | 175712-02-4.mol | ![4-Chloro-benzenesulfonic acid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylMethyl-tetrahydro-furan-3-ylMethyl ester Structure](CAS/20150408/GIF/175712-02-4.gif) |
| | 4-Chloro-benzenesulfonic acid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylMethyl-tetrahydro-furan-3-ylMethyl ester Chemical Properties |
| Boiling point | 612.9±65.0 °C(Predicted) | | density | 1.49±0.1 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | pka | 2.75±0.10(Predicted) | | Appearance | White to off-white Solid | | InChI | InChI=1S/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 | | InChIKey | WUPORSBDFSRGHD-XOBRGWDASA-N | | SMILES | C1(S(OC[C@H]2C[C@](CN3C=NC=N3)(C3=CC=C(F)C=C3F)OC2)(=O)=O)=CC=C(Cl)C=C1 | | CAS DataBase Reference | 175712-02-4 |
| | 4-Chloro-benzenesulfonic acid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylMethyl-tetrahydro-furan-3-ylMethyl ester Usage And Synthesis |
| Uses | The main ring of posaconazole can be used to synthesize the antifungal drug itraconazole.
| | Synthesis | Schering-Plough disclosed the synthetic route to the main ring of posaconazole in 1995 in US5661151A, which uses 2'-chloro-2,4-difluoroacetophenone as a starting material, and a Wittig reaction, a flip of the configuration, to end up with the end product.
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| | 4-Chloro-benzenesulfonic acid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylMethyl-tetrahydro-furan-3-ylMethyl ester Preparation Products And Raw materials |
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