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

CAS NO.：1195768-19-4
Empirical Formula: C14H10F3NO4S
Molecular Weight: 345.29
MDL number: MFCD18447698
EINECS: 812-675-6
SAFETY DATA SHEET (SDS)
Update Date: 2025-07-24 18:11:56

What is Methyl 3-(2,6-difluorophenylsulfonamido)-2-fluorobenzoate?

The Uses of Methyl 3-(2,6-difluorophenylsulfonamido)-2-fluorobenzoate

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

Storage

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

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

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

Safety information for Methyl 3-(2,6-difluorophenylsulfonamido)-2-fluorobenzoate

Computed Descriptors for Methyl 3-(2,6-difluorophenylsulfonamido)-2-fluorobenzoate

InChIKey	COSCWKICERLCEK-UHFFFAOYSA-N
SMILES	C(OC)(=O)C1=CC=CC(NS(C2=C(F)C=CC=C2F)(=O)=O)=C1F