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Structure of 885521-60-8

Chemical Structure| 885521-60-8

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Product Details of [ 885521-60-8 ]

CAS No. :885521-60-8
Formula : C7H4BrFN2
M.W : 215.02
SMILES Code : FC1=C2C(NN=C2Br)=CC=C1
MDL No. :MFCD07781589
InChI Key :GEWAOEJPYFYDFT-UHFFFAOYSA-N
Pubchem ID :24728205

Safety of [ 885521-60-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 885521-60-8 ]

* 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 [ 885521-60-8 ]

[ 885521-60-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 341-23-1 ]
  • [ 885521-60-8 ]
YieldReaction ConditionsOperation in experiment
69% With bromine; sodium hydroxide; at 20℃; for 3h; Example i-3: Preparation of (3-bromo-4-fluoro-1H-indazol-l-yl)(2-chloro-6- (trifluoromethyl)phenyl)methanone Scheme i-3 Step 1. Preparation of 3-bromo-4-fluoro-lH-indazole (i-3b). To a suspension of 4-fluoro- lH-indazole (i-3a) (5 g, 36.8 mmol) in 2M sodium hydroxide solution (100 ml) at rt was added a solution of bromine(5.8 g, 36.8 mmol) in 2M sodium hydroxide solution(60 ml). The reaction mixture was stirred at r.t. for 3h. To the reaction mixture was added sodium bisulfite aqueous solution (10%, lOOmL). The solution was extracted with Ethyl Acetate (2xl50mL). the combined Organic Layer was washed with H20 (3xl00mL) and Brine (2xl50mL). the solution was dried over anhydrous Na2S04 and evaporated. 5.47g product was obtained. Yield 69%. LCMS (ESI) calc'd for C7H4BrFN2 [M+H]+: 215, found: 215.
69% With bromine; sodium hydroxide; In water; at 20℃; for 3h; Step 1. Preparation of 3-bromo-<strong>[341-23-1]4-fluoro-1H-indazole</strong> (i-3b). To a suspension of 4-fluoro- 1H-indazole (i-3a) (5 g, 36.8 mmol) in 2M sodium hydroxide solution (100 ml) at room temperature was added a solution of bromine(5.8 g, 36.8 mmol) in 2M sodium hydroxidesolution (60 ml). The reaction mixture was stirred at room temperature for 3h. To the reaction mixture was added sodium bisulfite aqueous solution (10%, lOOmL). The solution was extracted with ethyl acetate (2xl5OmL). The combined organic layer was washed with H20 (3xlOOmL) and brine (2xl5OmL). The solution was dried over anhydrous Na2SO4 and evaporated. 5.47g product was obtained. Yield 69%. LCMS (ESI) calc?d for C7H4BrFN2[M+H]: 215, found: 215.
69% With bromine; sodium hydroxide; In water; at 20℃; for 3h; To a suspension of 4-fluoro- lH-indazole (i-2a) (5 g, 36.8 mmol) in 2M sodium hydroxide solution (100 ml) at r.t. was added a solution of bromine (5.8 g, 36.8 mmol) in 2M sodium hydroxide solution(60 ml). The reaction mixture was stirred at r.t. for 3 hr. To the reaction mixture was added sodium bisulfite aqueous solution (10%, lOOmL). The solution was extracted with Ethyl Acetate (2xl50mL). The combined Organic Layer was washed with H20 (3xl00mL) and Brine (2xl50mL). The solution was dried over anhydrous Na2S04 and evaporated. 5.47g product was obtained. Yield 69%. LCMS (ESI) calc'd for C7H4BrFN2 [M+H]+: 215, found: 215.
69% With bromine; sodium hydroxide; at 20℃; for 3h; Step 1. Preparation of 3-bromo-<strong>[341-23-1]4-fluoro-1H-indazole</strong> (i-2b). To a suspension of 4-fluoro- 1H-indazole (i-2a) (5 g, 36.8 mmol) in 2M sodium hydroxide solution (100 ml) at room temperature was added a solution of bromine (5.8 g, 36.8 mmol) in 2M sodium hydroxide solution(60 ml). The reaction mixture was stirred at room temperature for 3 hr. To thereaction mixture was added sodium bisulfite aqueous solution (10%, 1 OOmL). The solution was extracted with ethyl acetate (2xl5OmL). The combined organic layer was washed with H20 (3xlOOmL) and brine (2xl5OmL). The solution was dried over anhydrous Na2SO4 and evaporated. 5.47g product was obtained. Yield 69%. LCMS (ESI) calc?d for C7H4BrFN2 [M+H]: 215, found: 215.
69% With bromine; sodium hydroxide; In water; at 20℃; for 3h; Step 1. Preparation of 3-bromo-<strong>[341-23-1]4-fluoro-1H-indazole</strong> (i-3b) [0267] To a suspension of <strong>[341-23-1]4-fluoro-1H-indazole</strong> (i-3a) (5 g, 36.8 mmol) in 2M sodium hydroxide solution (100 ml) at room temperature was added a solution of bromine (5.8 g, 36.8 mmol) in 2M sodium hydroxide solution (60 ml). The reaction mixture was stirred at room temperature for 3 h. To the reaction mixture was added sodium bisulfite aqueous solution (10%, 100 mL). The solution was extracted with ethyl acetate (2×150 mL). The combined organic layer was washed with H2O (3×100 mL) and brine (2×150 mL). The solution was dried over anhydrous Na2SO4 and evaporated. 5.47 g product was obtained. Yield 69%. LCMS (ESI) calc'd for C7H4BrFN2 [M+H]+: 215. found: 215.

 

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