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Chemical Structure| 1414958-43-2 Chemical Structure| 1414958-43-2

Structure of 1414958-43-2

Chemical Structure| 1414958-43-2

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Product Details of [ 1414958-43-2 ]

CAS No. :1414958-43-2
Formula : C14H6BrClF3N3O
M.W : 404.57
SMILES Code : O=C(N1N=C(Br)C2=NC=CC=C21)C3=C(C(F)(F)F)C=CC=C3Cl
MDL No. :MFCD22689256

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Application In Synthesis of [ 1414958-43-2 ]

* 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 [ 1414958-43-2 ]

[ 1414958-43-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 59378-87-9 ]
  • [ 1414958-43-2 ]
  • [ 1561769-37-6 ]
YieldReaction ConditionsOperation in experiment
40% With 5-(di-tert-butylphosphino)-1?, 3?, 5?-triphenyl-1?H-[1,4?]bipyrazole; tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; In water; at 100℃; for 12h;Inert atmosphere; Step 1: Preparation of l-(l-(2-chloro-6-(trifluoromethyl)benzoyl)-4-fluoro-lH-indazol-3- yl)<strong>[59378-87-9]pyrrolidine-3-carboxylic acid</strong> (1C). To a solution of bippyphos (lOmg, 0.019mmol) in tert-amyl alcohol (0.8ml) was added Pd2(dba)3 (lOmg, 0.0095mmol) and a drop of water to maintain a homogeneous reaction mixture. After 15 min of stirring, (3-bromo-4-fluoro-lH- indazol-l-yl)(2-chloro-6-(trifluoromethyl)phenyl)methanone (40mg, 0.095mmol), <strong>[59378-87-9]pyrrolidine-3-carboxylic acid</strong> (14mg, 0.117mmol) and Cs2C03 (93mg, 0.284mmol) was added and the mixture was purged with N2, then it was heated to 100C for 12hr in oil bath. The mixture was diluted with H20, and the organic layer was separated. The aqueous layer was extracted with EtOAc (3x1 OmL). The combined organics were dried over anhydrous Na2S04, and concentrated. The residue was purified by prep-TLC (Petroleum/EtOAc, 2/1) to afford 17 mg (40 %) of the title compound. LCMS (ESI) calc'd for C20Hi4ClF4N3O3 [M+H]+: 456, found: 456. 1HNMR (400MHz, CDC13) delta 8.44 (IH, d, J=8.0Hz), 7.64-7.67 (2H, m), 7.51-7.60(2H, m), 7.04-7.09 (IH, m), 3.56-3.75 (4H, m), 3.17-3.20 (IH, m), 2.24-2.30 (2H, m
 

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