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Chemical Structure| 50488-36-3 Chemical Structure| 50488-36-3

Structure of 50488-36-3

Chemical Structure| 50488-36-3

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Product Details of [ 50488-36-3 ]

CAS No. :50488-36-3
Formula : C10H8BrNO
M.W : 238.08
SMILES Code : COC1=CC2=C(N=CC=C2)C(Br)=C1
MDL No. :MFCD11110269
InChI Key :MXMVLWCWCLMAHP-UHFFFAOYSA-N
Pubchem ID :279599

Safety of [ 50488-36-3 ]

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

Application In Synthesis of [ 50488-36-3 ]

* 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 [ 50488-36-3 ]

[ 50488-36-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 50488-36-3 ]
  • (CO2H)2 [ No CAS ]
  • [ 477601-25-5 ]
  • [ 108-88-3 ]
  • [ 224311-51-7 ]
  • [ 477601-08-4 ]
YieldReaction ConditionsOperation in experiment
23% With ammonia;tris-(dibenzylideneacetone)dipalladium(0); In methanol; ethanol; water; ethyl acetate; Step 6 6-Methoxy-N-{2-[3-(2-naphthyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]ethyl}-8-quinolinamine A mixture of 0.17 g, (0.61 mmol) 2-[3-(2-naphthyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]ethylamine, 0.13 g (0.55 mmol) 8-bromo-6-methoxyquinoline, 30 mg (0.03 mmol) Pd2(dba)3, 20 mg (0.08 mmol) 2-(di-t-butylphosphino)biphenyl and 10 mL PhMe is stirred at 23° C. for 16 h. The reaction mixture is poured into 100 mL of H2O and extracted 3*50 mL EtOAc. The combined organics are washed with 1*100 mL H2O, 1*100 mL brine, dried over MgSO4, filtered, and the volatiles are evaporated. The crude product is subjected to flash chromatography on SiO2, eluding with EtOAc to EtOAc/2M NH3 in MeOH (40/1), to give the title compound as an off-white solid. This solid is dissolved in 4 mL of absolute EtOH and treated with 0.01 g (0.14 mmol) (CO2H)2 to give 0.07 g (0.13 mmol, a 23percent yield) of the oxalate salt of the title compound as a dark green solid: mp: 179-182 C; MS (ES) m/z 436 (MH)+.
 

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