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Chemical Structure| 475102-15-9

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Product Details of [ 475102-15-9 ]

CAS No. :475102-15-9
Formula : C14H15BN2O4
M.W : 286.09
SMILES Code : OB(C(N1C(OC(C)(C)C)=O)=CC2=C1C=CC(C#N)=C2)O
MDL No. :MFCD04114578
InChI Key :AJWYBPNMPKTRDV-UHFFFAOYSA-N
Pubchem ID :4236497

Safety of [ 475102-15-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H335-H319
Precautionary Statements:P305+P351+P338-P405-P261-P280-P304+P340

Application In Synthesis of [ 475102-15-9 ]

* 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 [ 475102-15-9 ]

[ 475102-15-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 3032-81-3 ]
  • [ 475102-15-9 ]
  • [ 1137644-27-9 ]
YieldReaction ConditionsOperation in experiment
With N-cyclohexyl-cyclohexanamine;(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran; at 60℃; for 3h;pressure vessel; A mixture of l-Boc-5-cyanoindole-2-boronic acid (4.0 g, 13.98 mmol), 1,3- dichloro-5-iodobenzene (4.58 g, 16.78 mmol), dicyclohexylamine (7.6 g, 41.90 mmol) and [1,1'- bis(diphenylphosphino)ferrocene]palladium(II) dichloride (0.57 g, 0.70 mmol) in THF (30 mL) was purged with nitrogen and was heated to 60°C in a pressure vessel for 3 hours. The reaction mixture was cooled to room temperature, and was poured in a mixed solvent of EtOAc (50 mL) and hexanes (200 mL). The suspension was stirred vigorously at room temperature for 15 <n="30"/>minutes, and was filtered to remove the solid residue. The filtrate was concentrated and the crude residue was purified by silica gel chromatography with 0-10percent EtOAc in hexanes to provide tert-butyl 5-cyano-2-(3,5-dichlorophenyl)-1H-indole-1-carboxylate that gave a mass ion (ES+) of 387 for M+eta+ (35Cl) and proton NMR spectra consistent with theory.
 

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[ 475102-15-9 ]

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Related Parent Nucleus of
[ 475102-15-9 ]

Indoles

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