| Identification | Back Directory | [Name]
3-nitro-4-((tetrahydro-2H-pyran-4-yl)MethylaMino)benzenesulfonaMide | [CAS]
1228779-96-1 | [Synonyms]
124267
abt-1－199
EOS-60659
THP-sulfonamide
Venclexta Impurity 2
ABT-199 intermedate3
Venetoclax Intermediate
Venetoclax Intermediate 4
3-nitro-4-(oxan-4-ylmethylamino)benzenesulfonamide
3-nitro-4-[(oxan-4-ylmethyl)amino]benzene-1-sulfonamide
3-Nitro-4-[[(tetrahydropyran-4-yl)methyl]amino]benzenesulfonamide
3-nitro-4-((tetrahydro-2H-pyran-4-yl)MethylaMino)benzenesulfonaMide
Benzenesulfonamide, 3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]-
3-nitro-4-(((tetrahydro-2H-pyran-4 yl)methyl)amino)benzenesulfonamide(For export only) | [EINECS(EC#)]
1592732-453-0 | [Molecular Formula]
C12H17N3O5S | [MDL Number]
MFCD28142285 | [MOL File]
1228779-96-1.mol | [Molecular Weight]
315.345 |
| Chemical Properties | Back Directory | [Melting point ]
188 - 191°C | [Boiling point ]
542.0±60.0 °C(Predicted) | [density ]
1.412±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,2-8°C | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
9.58±0.60(Predicted) | [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 |
| Hazard Information | Back Directory | [Uses]
3-?Nitro-?4-?(((tetrahydro-?2H-?pyran-?4-?yl)?methyl)?amino)?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(1228779-96-1) 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 |
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