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Chemical Structure| 1228552-50-8 Chemical Structure| 1228552-50-8

Structure of 1228552-50-8

Chemical Structure| 1228552-50-8

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Product Details of [ 1228552-50-8 ]

CAS No. :1228552-50-8
Formula : C24H35BN4O5
M.W : 470.37
SMILES Code : O=C(N[C@@H](C(C)C)C(N1[C@@H](CCC1)C2=NC3=CC=C(C=C3N2)B4OC(C)(C(C)(O4)C)C)=O)OC

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* 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 [ 1228552-50-8 ]

[ 1228552-50-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1228552-50-8 ]
  • [ 121554-10-7 ]
  • [ 1262317-23-6 ]
YieldReaction ConditionsOperation in experiment
With sodium hydrogencarbonate;tetrakis(triphenylphosphine) palladium(0); In water; isopropyl alcohol; at 85℃;Inert atmosphere; Example 5 ((S)-1-{(S)-2-[5-(2-Cyano-4-{2-[(S)-1-((S)-2-methoxycarbonylamino-3-methyl- butyryl)-pyrrolidin-2-yl]-1 H-benzoimidazol-5-yl}-phenyl)-1 H-benzoimidazol-2- yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl esterIntermediate 19 (103 mg, 0.22 mmol), <strong>[121554-10-7]5-bromo-2-iodo-benzonitrile</strong> (0.1 mmol, 0.1 mmol), 1M aq NaHCO3 solution (0.5 ml_, 0.5 mmol), and Pd(PPh3J4 (11.5 mg, 10 mol %) are suspended into 2.5 mL of isopropanol in a microwave vial. The mixture is purged with nitrogen, heated to 85 C, and stirred overnight. The mixture is concentrated under vacuum and the residue is purified by flash chromatography on silica gel (methanol/DCM, 0 to 6%) to give a white solid. This solid is further purified on reverse phase HPLC to give title compound (9.3 mg). 1H NMR (400 MHz, CD3OD): delta [ppm] 7.45-8.09 (m, 9H), 5.30 (m, 2H), 4.34 (d, 2H), 3.91 -4.02 (m, 4H), 3.64 (s, 6H), 2.03-2.40 (m, 10H), 0.86-0.98 (m, 12H).LC/MS : m/z 788.64 (M + H+).
 

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