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Chemical Structure| 1467059-91-1 Chemical Structure| 1467059-91-1

Structure of 1467059-91-1

Chemical Structure| 1467059-91-1

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Product Details of [ 1467059-91-1 ]

CAS No. :1467059-91-1
Formula : C10H7BrClNO2
M.W : 288.53
SMILES Code : O=C(C1=CNC2=C1C=C(Br)C(Cl)=C2)OC
MDL No. :MFCD27987753
InChI Key :PLMOQYXKIYBPBH-UHFFFAOYSA-N
Pubchem ID :86698569

Safety of [ 1467059-91-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 1467059-91-1 ]

* 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 [ 1467059-91-1 ]

[ 1467059-91-1 ] Synthesis Path-Downstream   1~4

  • 2
  • [ 1219741-54-4 ]
  • [ 1467059-91-1 ]
  • [ 1467061-11-5 ]
YieldReaction ConditionsOperation in experiment
73% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In tetrahydrofuran; ethanol; toluene; at 115.0℃; for 2.0h;Inert atmosphere; A glass tube was charged with <strong>[1219741-54-4]4'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,1'-biphenyl]-2-ol</strong> (86.2 mg, 0.29 mmol), methyl 5-bromo-6-chloro-1H-indole-3-carboxylate (84 mg, 0.29 mmol), toluene (1.2 mL), THF (0.6 mL), EtOH (0.6 mL), and 2.0 M potassium carbonate solution (0.6 mL, 1.2 mmol). Nitrogen was then bubbled through the mixture for 5 minutes then [1,1'-bis(diphenylphosphino)ferrocene]dichloropalladium(II) (28 mg, 0.032 mmol) was added. The tube was sealed and heated to 115 C. for 2 hours. The reaction was cooled to room temperature, opened, and neutralized with 1.0 M sodium hydrogensulfate then diluted with ethyl acetate. The layers were separated and the aqueous extracted with ethyl acetate (x2). The combined organic layers were dried over sodium sulfate, filtered, and concentrated in vacuo. Flash column chromatography (20% to 100% ethyl acetate/heptane) was then used to to provide the title compound as a white solid (80 mg, 73% yield). MS (ES-) 376.1 (M-H). 1H NMR (500 MHz, DMSO-d6) delta 12.09 (br. s., 1H), 9.60 (s, 1H), 8.19 (s, 1H), 7.98 (s, 1H), 7.68 (s, 1H), 7.65 (d, 2H), 7.47 (d, 2H), 7.34 (dd, 1H), 7.19 (dt, 1H), 6.98 (d, 1H), 6.91 (dt, 1H), 3.81 (s, 3H).
  • 3
  • [ 1219741-54-4 ]
  • [ 1467059-91-1 ]
  • [ 1467058-65-6 ]
  • 4
  • [ 1467059-89-7 ]
  • [ 1467059-91-1 ]
  • [ 1467057-23-3 ]
 

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