2,6-Difluoro-3-(propylsulfonaMido)benzoic acid
Uses- Product Name
- 2,6-Difluoro-3-(propylsulfonaMido)benzoic acid
- CAS No.
- 1103234-56-5
- Chemical Name
- 2,6-Difluoro-3-(propylsulfonaMido)benzoic acid
- Synonyms
- Vemurafenib Impurity 2;Intermediate of Veronifini;2,6-Difluoro-3-(propylsulfonamido);Difluoro-3-(propylsulfonaMido)benzoic acid;2,6-Difluoro-3-(propylsulfonaMido)benzoic acid;2,6-difluoro-3-[(propylsulfonyl)aMino]Benzoic acid;2,6-Difluoro-3-[(propylsulphonyl)amino]benzoic acid;2,6-difluoro-3-(propane-1-sulfonylamino)benzoic acid;Benzoic acid, 2,6-difluoro-3-[(propylsulfonyl)amino]-;N-(3-Carboxy-2,4-difluorophenyl)propane-1-sulphonamide
- CBNumber
- CB22595218
- Molecular Formula
- C10H11F2NO4S
- Formula Weight
- 279.26
- MOL File
- 1103234-56-5.mol
2,6-Difluoro-3-(propylsulfonaMido)benzoic acid Property
- Melting point:
- 205～208℃
- Boiling point:
- 394.5±52.0 °C(Predicted)
- Density
- 1.518
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 2.11±0.10(Predicted)
- Appearance
- Off-white to pink Solid
- InChI
- InChI=1S/C10H11F2NO4S/c1-2-5-18(16,17)13-7-4-3-6(11)8(9(7)12)10(14)15/h3-4,13H,2,5H2,1H3,(H,14,15)
- InChIKey
- RTAWCKGXCGSFJI-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=C(F)C=CC(NS(CCC)(=O)=O)=C1F
Safety
- HS Code
- 2935909099
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.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P312Call a POISON CENTER or doctor/physician if you feel unwell.
P321Specific treatment (see … on this label).
P330Rinse mouth.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- D448683
- Product name
- 2,6-Difluoro-3-(propylsulfonamido)benzoicAcid
- Packaging
- 500mg
- Price
- $75
- Updated
- 2021/12/16
- Product number
- 8669-3-31
- Product name
- 2,6-Difluoro-3-(propane-1-sulfonamido)benzoic acid
- Packaging
- 5G
- Price
- $95
- Updated
- 2021/12/16
- Product number
- PC400507
- Product name
- 2,6-Difluoro-3-[(propylsulphonyl)amino]benzoic acid
- Purity
- 99%
- Packaging
- 5g
- Price
- $135
- Updated
- 2021/12/16
- Product number
- Z5441
- Product name
- 2,6-Difluoro-3-(propylsulfonamido)benzoicacid
- Packaging
- 10g
- Price
- $149
- Updated
- 2021/12/16
- Product number
- 8669-3-31
- Product name
- 2,6-Difluoro-3-(propane-1-sulfonamido)benzoic acid
- Packaging
- 25g
- Price
- $175
- Updated
- 2021/12/16
2,6-Difluoro-3-(propylsulfonaMido)benzoic acid Chemical Properties,Usage,Production
Uses
2,6-Difluoro-3-(propylsulfonaMido)benzoic acid is a BRAF inhibitor approved by the US FDA in 2011, primarily used to treat advanced melanoma. Clinical studies have shown that vemurafenib exhibits significant resistance, but patients show disease remission within the first few months of its application.
Synthesis
1186193-95-2
1103234-56-5
Example C: Synthesis of 2,6-difluoro-3-(propylsulfonamido)benzoic acid An aqueous 1N NaOH solution (150 mL, 150 mmol) was added to a 4:1 THF/MeOH (250 mL, 0.2 M) solution of methyl 2,6-difluoro-3-(N-propylsulfonyl)benzoate (20.0 g, 50.1 mmol). The reaction mixture was stirred at room temperature overnight. Most of the organic solvent was removed under vacuum (water bath temperature 35 °C). To the residue, 1N HCl (150 mL) was slowly added, and the resulting solid was filtered and washed with water (4 x 50 mL). Subsequently, the solid was washed with ether (4 x 15 mL) to afford 2,6-difluoro-3-(propylsulfonamido)benzoic acid as a white solid (10.7 g, 77% yield). 1H NMR (400 MHz, d6-DMSO) δ 9.74 (s, 1H), 7.57-7.50 (m, 1H), 7.23-7.17 (m, 1H), 3.11-3.06 (m, 2H), 1.79-1.69 (m, 2H), 0.98 (t, J = 7.4 Hz, 3H). m/z (APCI-neg) M-1 = 278.0.
References
[1] Patent: WO2011/25938, 2011, A2. Location in patent: Page/Page column 52
[2] Patent: WO2011/25940, 2011, A1. Location in patent: Page/Page column 57-58
[3] Patent: WO2011/25947, 2011, A1. Location in patent: Page/Page column 40
[4] Patent: WO2011/25965, 2011, A1. Location in patent: Page/Page column 38
[5] Patent: WO2011/25951, 2011, A1. Location in patent: Page/Page column 31-32
2,6-Difluoro-3-(propylsulfonaMido)benzoic acid Preparation Products And Raw materials
Raw materials
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View Lastest Price from 2,6-Difluoro-3-(propylsulfonaMido)benzoic acid manufacturers
- Product
- 2,6-Difluoro-3-(propylsulfonaMido)benzoic acid 1103234-56-5
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 200kg
- Release date
- 2020-01-02
- Product
- 2,6-Difluoro-3-(propylsulfonaMido)benzoic acid 1103234-56-5
- Price
- US $7.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- JD 463
- Release date
- 2019-09-01
- Product
- 2,6-Difluoro-3-(propylsulfonaMido)benzoic acid 1103234-56-5
- Price
- US $100.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 100KG
- Release date
- 2018-07-26