Introduction：Basic information about (5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofur, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Table of Contents
- 1. (5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester Basic information
- 2. (5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester Chemical Properties
- 3. Safety Information
- 4. (5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester Usage And Synthesis
- 5. (5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester Preparation Products And Raw materials
(5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester Basic information
| Product Name: | (5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester |
| Synonyms: | Posaconazole Impurity 53;((3S,5R)-5-((1H-1,2,4-triazol-1-yl)Methyl)-5-(2,4-difluorophenyl)-tetrahydrofuran-3-yl)Methyl 4-Methylbenzenesulfonate;Posaconazole InterMediates;2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-Methylphenyl)sulfonyl]oxy]Methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol;(5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)Methyltetrahydrofuran-3-ylMethyl ester- (POA);(5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4;Toluene-4-sulfonica cid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylMethyl-tetrahydro-furan-3-ylMethyl ester;((3R,5R)-5-((1H-1,2,4-triazol-1-yl)Methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)Methyl 4-Methylbenzenesulfonate |
| CAS: | 149809-43-8 |
| MF: | C21H21F2N3O4S |
| MW: | 449.47 |
| EINECS: | 1308068-626-2 |
| Product Categories: | Aromatics;Chiral Reagents;Intermediates;Intermediates & Fine Chemicals;Pharmaceuticals |
| Mol File: | 149809-43-8.mol |
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(5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester Chemical Properties
| Melting point | 100-102°C |
| Boiling point | 608.1±65.0 °C(Predicted) |
| density | 1.40 |
| storage temp. | -20°C Freezer, Under Inert Atmosphere |
| solubility | slightly sol. in Chloroform |
| form | powder to crystal |
| pka | 2.75±0.10(Predicted) |
| color | White to Orange to Green |
| InChI | InChI=1S/C21H21F2N3O4S/c1-15-2-5-18(6-3-15)31(27,28)30-11-16-9-21(29-10-16,12-26-14-24-13-25-26)19-7-4-17(22)8-20(19)23/h2-8,13-14,16H,9-12H2,1H3/t16-,21-/m0/s1 |
| InChIKey | DFWVLCJRFGIRAK-HRAATJIYSA-N |
| SMILES | C1[C@](CN2N=CN=C2)(C2C(F)=CC(F)=CC=2)OC[C@H]1COS(=O)(=O)C1C=CC(C)=CC=1 |
| CAS DataBase Reference | 149809-43-8(CAS DataBase Reference) |
Safety Information
(5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester Usage And Synthesis
| Description | (5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester is a pharmaceutical intermediate ingredient for Posaconazole is one of the newest triazole antifungal agents approved by the FDA for the prevention of invasive Aspergillus and Candida infections in immunocompromised patients. Such patients include haematopoietic stem cell transplant patients with graft-versus-host disease and patients with haematological malignancies undergoing chemotherapy. |
| Chemical Properties | White Crystalline Solid |
| Uses | Posaconazole intermediate. Antifungal agent. |
(5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester Preparation Products And Raw materials
| Raw materials | Toluene-4-sulfonic acid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylMethyl-tetrahydro-furan-3-ylMethyl-->Tosyl chloride |
| Preparation Products | O-Benzyl Posaconazole |
