3-nitro-4-((tetrahydro-2H-pyran-4-yl)MethylaMino)benzenesulfonaMide
- Product Name
- 3-nitro-4-((tetrahydro-2H-pyran-4-yl)MethylaMino)benzenesulfonaMide
- CAS No.
- 1228779-96-1
- Chemical Name
- 3-nitro-4-((tetrahydro-2H-pyran-4-yl)MethylaMino)benzenesulfonaMide
- Synonyms
- 124267;abt-1-199;EOS-60659;THP-sulfonamide;Venetoclax Inter.;Venclexta Impurity 2;ABT-199 intermedate3;Venetoclax Intermediate;Venetoclax Intermediate 4;3-nitro-4-(oxan-4-ylmethylamino)benzenesulfonamide
- CBNumber
- CB02735683
- Molecular Formula
- C12H17N3O5S
- Formula Weight
- 315.35
- MOL File
- 1228779-96-1.mol
3-nitro-4-((tetrahydro-2H-pyran-4-yl)MethylaMino)benzenesulfonaMide Property
- 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
Safety
- HS Code
- 2932990090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- 132849
- Product name
- 3-Nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)benzenesulfonamide
- Purity
- 97%
- Packaging
- 5g
- Price
- $62
- Updated
- 2021/12/16
- Product number
- OR55052
- Product name
- 3-Nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)benzenesulfonamide
- Packaging
- 1g
- Price
- $66
- Updated
- 2021/12/16
- Product number
- 8H69-1-7N
- Product name
- 3-Nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)benzenesulfonamide
- Packaging
- 1g
- Price
- $72
- Updated
- 2021/12/16
- Product number
- 0022AP
- Product name
- 3-Nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)benzenesulfonamide
- Packaging
- 1g
- Price
- $77
- Updated
- 2021/12/16
- Product number
- CS-0010860
- Product name
- 3-Nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]benzenesulfonamide
- Packaging
- 10g
- Price
- $84
- Updated
- 2021/12/16
3-nitro-4-((tetrahydro-2H-pyran-4-yl)MethylaMino)benzenesulfonaMide Chemical Properties,Usage,Production
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
Raw materials
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View Lastest Price from 3-nitro-4-((tetrahydro-2H-pyran-4-yl)MethylaMino)benzenesulfonaMide manufacturers
- Product
- 3-nitro-4-((tetrahydro-2H-pyran-4-yl)MethylaMino)benzenesulfonaMide 1228779-96-1
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 10000KGS
- Release date
- 2025-05-23
- Product
- 3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)-benzenesulfonamide 1228779-96-1
- Price
- US $0.00/KG
- Min. Order
- 1KG
- Purity
- 98%min
- Supply Ability
- 30tons/month
- Release date
- 2023-01-11
- Product
- 3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)benzenesulfoNamide 1228779-96-1
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 200kg
- Release date
- 2023-06-30