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Chemical Structure| 1111637-69-4 Chemical Structure| 1111637-69-4

Structure of 1111637-69-4

Chemical Structure| 1111637-69-4

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Product Details of [ 1111637-69-4 ]

CAS No. :1111637-69-4
Formula : C7H6BFN2O2
M.W : 179.94
SMILES Code : FC1=CNC2=NC=C(B(O)O)C=C21
MDL No. :MFCD12964548

Safety of [ 1111637-69-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P261-P280-P305+P351+P338-P304+P340-P405

Application In Synthesis of [ 1111637-69-4 ]

* 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 [ 1111637-69-4 ]

[ 1111637-69-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1111637-69-4 ]
  • [ 1000342-95-9 ]
  • [ 76-05-1 ]
  • 4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(trifluoromethyl)-1H-indazoletrifluoroacetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
18.1% EXAMPLE 339: 4-(3-fiuoro-lH-pyrrolo[2,3-b]pyridin-5-yl)-6-(trifluoromethyl)- lH-indazole [0970] A 20 mL microwave vial was charged with a mixture of 4-bromo-6- (trifluoromethyl)-lH-indazole (60 mg, 0.226 mmol), (3-fluoro-lH-pyrrolo[2,3-b]pyridin-5- yl)boronic acid (61.1 mg, 0.340 mmol) and PdCl2(dppf)CH2Ci2 (9.31 mg, 0.011 mmol) in dioxane (4 mL) and aqueous saturated NaHC03 (2 mL). The resulting brown suspension was heated at 130°C for 30 minutes in microwave reactor. The reaction mixture was subsequently purified by preparative HPLC, eluting with a gradient of 65-80percent acetonitrile (containing 0.035percent TFA) in H20 (containing 0.05percent TFA). The product fractions were collected and dried to give a TFA salt of the title compound as a dark purple solid (13.1 mg, 18.1percent>). 1H NMR (400 MHz, CD3OD) delta ppm 7.34 (d, J=2.27 Hz, 1 H), 7.50 (d, J=1.01 Hz, 1 H), 7.92 (s, 1 H), 8.29 (d, J=1.01 Hz, 1 H), 8.36 (d, J=2.02 Hz, 1 H), 8.62 (d, J=2.02 Hz, 1 H); ESI-MS m/z [M+H]+ calc'd for Ci5H8F4N4, 321.1; found 321.2.
 

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