|
|
| | 3-nitro-4-((tetrahydro-2H-pyran-4-yl)MethylaMino)benzenesulfonaMide Basic information |
| | 3-nitro-4-((tetrahydro-2H-pyran-4-yl)MethylaMino)benzenesulfonaMide Chemical Properties |
| Melting point | 188 - 191°C | | Boiling point | 542.0±60.0 °C(Predicted) | | density | 1.412±0.06 g/cm3(Predicted) | | storage temp. | 2-8°C(protect from light) | | solubility | DMSO (Slightly), Methanol (Slightly) | | pka | 9.58±0.60(Predicted) | | form | Solid | | color | Yellow to Dark Yellow | | InChI | InChI=1S/C12H17N3O5S/c13-21(18,19)10-1-2-11(12(7-10)15(16)17)14-8-9-3-5-20-6-4-9/h1-2,7,9,14H,3-6,8H2,(H2,13,18,19) | | InChIKey | HNQRHNYBVWICKB-UHFFFAOYSA-N | | SMILES | C1(S(N)(=O)=O)=CC=C(NCC2CCOCC2)C([N+]([O-])=O)=C1 | | CAS DataBase Reference | 1228779-96-1 |
| | 3-nitro-4-((tetrahydro-2H-pyran-4-yl)MethylaMino)benzenesulfonaMide Usage And Synthesis |
| Uses | 3-nitro-4-((tetrahydro-2H-pyran-4-yl)MethylaMino)benzenesulfonaMide is a pharmaceutical intermediate compound used in the preparation of Venetoclax, which is used to treat certain types of chronic lymphocytic leukaemia (CL) or certain types of small lymphocytic lymphoma (SLL). | | Uses | 3-nitro-4-((tetrahydro-2H-pyran-4-yl)MethylaMino)benzenesulfonaMide is a reagent used in the synthesis of BTK, PI3K and JAK-2 inhibitors. | | Synthesis | 3-nitro-4-((tetrahydro-2H-pyran-4-yl)MethylaMino)benzenesulfonaMide is prepared by the reaction of 4-Aminomethyltetrahydropyran and 4-Fluoro-3-nitrobenzenesulfonamide. The specific synthesis steps are as follows:
4-Fluoro-3-nitrobenzenesulfonamide (1.0 g, 4.54 mmol), (tetrahydro-2H-pyran-4-yl)methylamine (0.6 g, 4.49 mmol), Triethylamine (1.3 g, 6.81 mmol) was added to 10 ml of tetrahydrofuran solution. After stirring at room temperature for 5 h, the solvent was removed. Add 20ml of methanol to beat, After drying, the product was obtained in an amount of 1.4 g. The yield was 97percent.
 | | References | [1] Patent: CN108658983, 2018, A. Location in patent: Paragraph 0116; 0117; 0118
[2] Patent: WO2017/156398, 2017, A1. Location in patent: Paragraph 0322
[3] Patent: WO2010/65865, 2010, A2. Location in patent: Page/Page column 226-227
[4] Patent: US2010/160322, 2010, A1. Location in patent: Page/Page column 86
[5] Patent: US2010/305122, 2010, A1. Location in patent: Page/Page column 118 |
| | 3-nitro-4-((tetrahydro-2H-pyran-4-yl)MethylaMino)benzenesulfonaMide Preparation Products And Raw materials |
|