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Structure of 887338-51-4

Chemical Structure| 887338-51-4

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Product Details of [ 887338-51-4 ]

CAS No. :887338-51-4
Formula : C15H11BrFNO2S
M.W : 368.22
SMILES Code : O=S(N1C=C(Br)C2=C1C=C(F)C=C2)(C3=CC=C(C)C=C3)=O
MDL No. :MFCD22205869
InChI Key :FELXKTSAXVBKCL-UHFFFAOYSA-N
Pubchem ID :57616199

Safety of [ 887338-51-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 887338-51-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 887338-51-4 ]

[ 887338-51-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 887338-51-4 ]
  • [ 214360-60-8 ]
  • N-[4-[6-fluoro-1-(p-tolylsulfonyl)indol-3-yl]phenyl]acetamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
95% With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium carbonate; In 1,4-dioxane; water; at 120℃; for 0.5h;Inert atmosphere; Microwave irradiation; 3-Bromo-6-fluoro-1-(p-tolylsulfonyl)indole (Intermediate 1, 56 mg, 0.15 mmol and N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide (49 mg, 0.19 mmol) were dissolved in 1,4-dioxane (1 ml) and transferred in a microwave flask. A solution of 2M K2CO3 in water (0.333 ml) was added and the reaction mixture was stirred under N2-atmosphere for 5 min. PdCl2(dppf) (12 mg, 0.015 mmol) was subsequently added and the reaction mixture was stirred under N2-atmosphere for another 3 min. The reaction mixture was heated for 30 min at 120 C under microwave radiation. Reaction mixture was then diluted with DCM and filtered over Decalite in a PE-filter. The organic layer is was concentrated in vacuo and the resulting crude product was purified by column chromatography (heptane/ethyl acetate = 1/1 v/v%) to afford N-[4-[6-fluoro-1-(p-tolylsulfonyl)indol-3-yl]phenyl]acetamide: 59 mg (95% yield). (0102) Deprotection was performed using 2M NaOH-solution in water/methanol at 85 C for 3 h. Purification was performed using preparative HPLC to afford the title compound (8 mg, 22%). Data: LCMS (B) Rt: 10.147 min; m/z 269.2 (M+H)+.
 

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