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Methyl 3-(2,6-difluorophenylsulfonamido)-2-fluorobenzoate

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Methyl 3-(2,6-difluorophenylsulfonamido)-2-fluorobenzoate Basic information

Product Name:
Methyl 3-(2,6-difluorophenylsulfonamido)-2-fluorobenzoate
Synonyms:
  • Methyl 3-{[(2,6-difluoropheyl)sulfonyl]aMino}-2-fluorabenzoate
  • Methyl 3-{[(2,6-difluorophenyl)sulfonyl]aMino}-2-fluorobenzoate
  • Methyl 3-(2,6-difluorophenylsulfonaMido)-2-fluorobenzoate
  • Benzoic acid, 3-[[(2,6-difluorophenyl)sulfonyl]amino]-2-fluoro-, methyl ester
  • DABRAFENIB INT
  • methyl 3-(((2,6-difluorophenyl)sulfonyl)amino)-2-fluorobenzo...
  • Dalafenib intermediate 3
CAS:
1195768-19-4
MF:
C14H10F3NO4S
MW:
345.29
EINECS:
812-675-6
Mol File:
1195768-19-4.mol
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Methyl 3-(2,6-difluorophenylsulfonamido)-2-fluorobenzoate Chemical Properties

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)
pka
6.68±0.10(Predicted)
form 
Solid
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
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Methyl 3-(2,6-difluorophenylsulfonamido)-2-fluorobenzoate Usage And Synthesis

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.

storage

Keep container tightly closed under nitrogen or argon and refrigerate for long-term shelf life.

Methyl 3-(2,6-difluorophenylsulfonamido)-2-fluorobenzoateSupplier

JINAN RUIFENG PHARMACEUTICAL TECHNOLOGY CO.,LTD Gold
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Methyl 3-(2,6-difluorophenylsulfonamido)-2-fluorobenzoate(1195768-19-4)Related Product Information