| Identification | Back Directory | [Name]
Methyl 3-{[(2,6-difluoropheyl)sulfonyl]aMino}-2-fluorabenzoate | [CAS]
1195768-19-4 | [Synonyms]
DABRAFENIB INT
Methyl 3-(2,6-difluorophenylsulfonaMido)-2-fluorobenzoate
Methyl 3-{[(2,6-difluoropheyl)sulfonyl]aMino}-2-fluorabenzoate
Methyl 3-{[(2,6-difluorophenyl)sulfonyl]aMino}-2-fluorobenzoate
Benzoic acid, 3-[[(2,6-difluorophenyl)sulfonyl]amino]-2-fluoro-, methyl ester | [EINECS(EC#)]
812-675-6 | [Molecular Formula]
C14H10F3NO4S | [MDL Number]
MFCD18447698 | [MOL File]
1195768-19-4.mol | [Molecular Weight]
345.294 |
| Chemical Properties | Back Directory | [Boiling point ]
445.4±55.0 °C(Predicted) | [density ]
1.507±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
6.68±0.10(Predicted) | [color ]
White to Off-White | [InChI]
InChI=1S/C14H10F3NO4S/c1-22-14(19)8-4-2-7-11(12(8)17)18-23(20,21)13-9(15)5-3-6-10(13)16/h2-7,18H,1H3 | [InChIKey]
COSCWKICERLCEK-UHFFFAOYSA-N | [SMILES]
C(OC)(=O)C1=CC=CC(NS(C2=C(F)C=CC=C2F)(=O)=O)=C1F |
| Hazard Information | Back Directory | [Uses]
Methyl 3-(2,6-difluorophenylsulfonamido)-2-fluorobenzoate can be useful in the development of B-RafV600E inhibitors. | [Synthesis]
Methyl 3-amino-2-fluorobenzoate was charged to the reactor, followed by dichloromethane. The contents were stirred and cooled to ~15°C, and pyridine was added. After that, the reactor contents were adjusted to ~15°C, and adding 2,6-diflurorobenzenesulfonyl chloride was started via an addition funnel. The temperature during addition was kept at <25°C. After complete addition, the reactor contents were warmed to 20-25°C and held overnight. Ethyl acetate was added, and dichloromethane was removed by distillation. Once distillation was complete, the reaction mixture was diluted again with ethyl acetate (5 vol) and concentrated. Methyl 3-(2,6-difluorophenylsulfonamido)-2-fluorobenzoate was obtained through further purification.![Methyl 3-{[(2,6-difluoropheyl)sulfonyl]aMino}-2-fluorabenzoate](/NewsImg/2023-12-06/6383747428389984808211694.jpg "Methyl 3-{[(2,6-difluoropheyl)sulfonyl]aMino}-2-fluorabenzoate")
| [storage]
Keep container tightly closed under nitrogen or argon and refrigerate for long-term shelf life.
| [References]
[1] Patent: WO2011/47238, 2011, A1. Location in patent: Page/Page column 17-18
[2] Patent: WO2014/66606, 2014, A2. Location in patent: Page/Page column 20-21
[3] Patent: WO2014/195852, 2014, A1. Location in patent: Page/Page column 28-29
[4] Patent: WO2015/87279, 2015, A1. Location in patent: Page/Page column 21; 22
[5] Patent: WO2017/37587, 2017, A1. Location in patent: Page/Page column 31-32 |
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| Company Name: |
SPIRO PHARMA
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| Telephone: |
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| Website: |
www.spiropharma.com.cn |
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