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Chemical Structure| 942154-19-0 Chemical Structure| 942154-19-0

Structure of 942154-19-0

Chemical Structure| 942154-19-0

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Product Details of [ 942154-19-0 ]

CAS No. :942154-19-0
Formula : C9H8BrN3
M.W : 238.08
SMILES Code : BrC1=CC(CN2N=CN=C2)=CC=C1
MDL No. :MFCD11100117

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Application In Synthesis of [ 942154-19-0 ]

* 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 [ 942154-19-0 ]

[ 942154-19-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 182344-13-4 ]
  • [ 942154-19-0 ]
  • [ 942154-44-1 ]
YieldReaction ConditionsOperation in experiment
72% With tetrabutylammomium bromide; potassium carbonate;palladium diacetate; In ethanol; water; at 120℃; for 0.05h;Irradiation; 3'-(l,254)Triazole-l-yI-methyI-biphenyl-3-ehloro-4-oI (TJA01191) C15Hi2ClN3O MW 285.73. A 10 mL microwave vial was loaded with TJA01009 (0.150 g, 0.630 mmol), TJA01187 (0.130 g, 0.756 mmol), potassium carbonate (0.218 g, 1.58 mmol), tetrabutylammonium bromide (0.209 g, 0.630 mmol), Pd(OAc)2 (0.004-0.005 g, 2-3 mol percent), ethanol (1.5 mL) and distilled water (3.5 mL). The vial was sealed and loaded (with no prior degassing) into a CEM Explorer Microwave. After a run time of 3 min at 120 0C the reaction mixture was allowed to cool and ethyl acetate (50 mL) added. This was then washed with distilled water (25 mL x 3) and brine (25 mL). The organic layer was dried over MgSO4, filtered and solvent removed in vacuo to leave a yellow/brown residue. The crude product was purified via flash chromatography (20 g column, method4) eluted the title compound as an off white solid (0.129 g, 72 percent), Rf. 0.35 (ethyl acetate). 1H NMR (270 MHz5 DMSO-J6) delta 5.46 (2H, s, ArCH2N), 7.04-7.07 (IH, d, J= 8.4 Hz, ArH), 7.18-7.20 (IH, d, J= 7.4 Hz, ArH)5 7.28-7.62 (5H, m, ArH)5 8.01 (IH5 s, C2H2N3), 8.71 (IH5 S5 C2H2N3) and 10.40 (IH5 bs, ArOH); HPLC (70 percent CH3CN in H2O) ttau= 4.274 (96.66 percent); LCMS (APCI), m/z 286.33 (37ClM--H5 30 percent), 284.32 (35ClM- - H5 100).
 

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