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Chemical Structure| 86520-99-2 Chemical Structure| 86520-99-2

Structure of 86520-99-2

Chemical Structure| 86520-99-2

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Product Details of [ 86520-99-2 ]

CAS No. :86520-99-2
Formula : C8H8N2
M.W : 132.16
SMILES Code : CC1=CC(C)=NC(C#C)=N1
MDL No. :MFCD22371718
InChI Key :VGWRJXCDOHBOSC-UHFFFAOYSA-N
Pubchem ID :13081754

Safety of [ 86520-99-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 86520-99-2 ]

* 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 [ 86520-99-2 ]

[ 86520-99-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 626-44-8 ]
  • [ 86520-99-2 ]
  • [ 1581300-05-1 ]
YieldReaction ConditionsOperation in experiment
42% With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; at 90℃; for 24h;Inert atmosphere; A solution of <strong>[626-44-8]1,3,5-triiodobenzene</strong> (0.226 g, 0.497 mmol),2-ethynyl-4,6-dimethylpyrimidine (0.229 g, 1.739 mmol),Pd(PPh3)2Cl2(0.034 g, 0.049 mmol), CuI (0.018 g, 0.097 mmol) inEt3N (15 mL) was stirred at 90C for 24 h under nitrogen atmosphere, the TLC monitoring indicated the consumption of startingmaterials. The reaction mixture was cooled,filtered through Celiteand evaporated under reduced pressure. The crude product waspurified by column chromatography on silica gel (EtOH was usedfor thefirst purification followed by a second one with ethyl acetateas eluent) to afford the title compound3as brown solid (0.097 g,42percent). Mp: 230C. IR (cm1, neat): 2962, 2923, 2900, 2172, 1949,1738, 1587, 1535, 1441, 1346, 1251, 1176, 1036, 956, 943, 845, 788,761, 704, 634, 619;1H NMR (300 MHz, CDCl3)d(ppm): 2.52 (s, 18H),7.01 (s, 3H), 7.88 (s, 3H);13C NMR (75 MHz, CDCl3)d(ppm): 24.0,84.3, 89.4, 119.5, 122.8, 136.6, 152.2, 167.3; HRMS: calcd forC30H25N6[MH]469.2141; found 469.2144.
 

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