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Chemical Structure| 872415-81-1 Chemical Structure| 872415-81-1

Structure of 872415-81-1

Chemical Structure| 872415-81-1

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Product Details of [ 872415-81-1 ]

CAS No. :872415-81-1
Formula : C49H36ClIrN4O
M.W : 924.51
SMILES Code : O#C[Ir+3]123([N-]4C5=C(C6=CC=C(C)C=C6)C7=[N]1C(C=C7)=C(C8=CC=C(C)C=C8)C9=CC=C(C(C%10=CC=C(C)C=C%10)=C%11[N]3=C(C=C%11)C(C%12=CC=C(C)C=C%12)=C4C=C5)[N-]29)[Cl-]

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Application In Synthesis of [ 872415-81-1 ]

* 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 [ 872415-81-1 ]

[ 872415-81-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 12112-67-3 ]
  • [ 14527-51-6 ]
  • [ 872415-81-1 ]
YieldReaction ConditionsOperation in experiment
67% In 5,5-dimethyl-1,3-cyclohexadiene; for 96h;Reflux; This compound was synthesized according to the method reported in literature [24,26-28]. [Ir(COD)Cl]2 (0.39mmol) was added to a H2ttp (0.26mmol) solution in xylene (100mL), and the mixture was refluxed for 4days. The solvent was removed by evaporation under vacuum. The reaction crude was purified by silica gel column chromatography using a mixture of n-hexane and dichloromethane of increasing polarity as eluent. The pure product was obtained by recrystallization from dichloromethane/hexane as a purple solid in 67% yield. 1H NMR (CDCl3) δ ppm=2.74 (s, 12H, 4×CH3), 7.59 (dd, 8H, J=8.4 and J=0.4Hz, H2 and H6), 8.15 (dd, 8H, J=8.4 and J=1.6Hz, H3 and H5), 8.97 (s, 8H, β-py) ppm. UV-Vis (CH2Cl2): λmx=421 [7.29×107 (logε7.86)], 497 [5.50×106 (logε6.74)], 533 [3.98×107 (logε7.60)], 567 [1.04×107 (logε7.02)]nm. MS (MALDI-TOF): m/z 925.23 calculated for C49H36ClIrN4O; found m/z 859.32 [C48H36IrN4]; m/z 887.26 [C49H36IrN4O].
 

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