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Chemical Structure| 875781-48-9 Chemical Structure| 875781-48-9

Structure of 875781-48-9

Chemical Structure| 875781-48-9

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Product Details of [ 875781-48-9 ]

CAS No. :875781-48-9
Formula : C5H4IN3O2
M.W : 265.01
SMILES Code : NC1=C(N=C(I)C=N1)C(O)=O
MDL No. :MFCD09909641

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Application In Synthesis of [ 875781-48-9 ]

* 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 [ 875781-48-9 ]

[ 875781-48-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 875781-48-9 ]
  • [ 22259-53-6 ]
  • C14H12IN5O [ No CAS ]
YieldReaction ConditionsOperation in experiment
74% With HATU; In N,N-dimethyl-formamide; at 20 - 50℃; for 2h;Cooling with ice; To an ice-cooled stirred solution of 0.1 mmole of -2d- and0.13 mmole of HATU (hexafluorophosphate of O-(7-Azabenzotriazol-1-yl)-N,N,N?,N?-tetramethyluronium) in 1 mL of dry DMF(dimethylformamide) , are successively added at a 20 mm interval,0.5 mmole of DIPEA (N,N-diisoprolylethylamine) and 0.13 mmole of<strong>[22259-53-6](1H-indol-3-yl)methanamine</strong>. The reaction mixture is agitated fora two hours period while the temperature is progressively allowedto rise to ambient and then to 50°C. Reaction crude is then poured into 25 mL of dichloromethane and successively washed with NaHCO3 saturated water, water and brine. The combined organic layers are dried over Na2SO4, evaporated to dryness and the crudepurified by preparative reverse-phase HPLC (yield: 74percent) LCMS (IE, m/z): (M+1) 394; ?H NMR: oH ppm 400 MHz, DMSO: 10.94 (1H, sl, NH), 8.71 (1H, t, NH), 8.36 (1H, 5, CHarom.) ,7.67 (2H sl, NH2) ,7.65 (1H, d, CHarom.) , 7.37 (1H, dt, CHarom.) ,7.29 (1H, d, CHarom.) , 7.01 (1H, td, CHarom.) , 6.79 (1H, td, CHarom.) ,4.59 (2H, d,CH2)
  • 2
  • [ 875781-48-9 ]
  • [ 22259-53-6 ]
  • C21H18N6O2S [ No CAS ]
 

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