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ChemicalBook--->CAS DataBase List--->1228779-96-1

1228779-96-1

1228779-96-1 Structure

1228779-96-1 Structure
IdentificationBack 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 PropertiesBack 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
[CAS DataBase Reference]

1228779-96-1
Safety DataBack Directory
[HS Code ]

2932990090
Hazard InformationBack 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.
3-nitro-4-((tetrahydro-2H-pyran-4-yl)MethylaMino)benzenesulfonaMide synthesis
Spectrum DetailBack Directory
[Spectrum Detail]

3-nitro-4-((tetrahydro-2H-pyran-4-yl)MethylaMino)benzenesulfonaMide(1228779-96-1)1HNMR
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