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[ CAS No. 886860-50-0 ]

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Chemical Structure| 886860-50-0
Chemical Structure| 886860-50-0
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CAS No. :886860-50-0 MDL No. :MFCD09909691
Formula : C4H4IN3 Boiling Point : 337.6°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :221.00 g/mol Pubchem ID :20625578
Synonyms :

Safety of [ 886860-50-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 886860-50-0 ]

  • Upstream synthesis route of [ 886860-50-0 ]
  • Downstream synthetic route of [ 886860-50-0 ]

[ 886860-50-0 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 886860-50-0 ]
  • [ 1449112-32-6 ]
  • [ 24241-18-7 ]
Reference: [1] Heterocycles, 2012, vol. 86, # 2, p. 1323 - 1339
  • 2
  • [ 5049-61-6 ]
  • [ 886860-50-0 ]
YieldReaction ConditionsOperation in experiment
70.5% With N-iodo-succinimide In methanol at 80℃; for 10 h; A 1000 mL single-neck round bottom flask was charged with 2-aminopyrazine (28.50 g, 300 mmol), N-iodosuccinimide(134.99 g, 600 mmol), methanol 340 ml,The mixture in the reaction flask was stirred at 80 ° C for 10 hours.TLC and GC confirmed the reaction was complete. After the reaction was completed, the solvent was removed by rotary evaporation to give a crude product, which was purified by silica gel column chromatography to give pure product2-Amino-5-iodopyrazine, after drying,Calculated yield 70.50percentPurity 99.58percent (HPLC).
40% With N-iodo-succinimide In water; dimethyl sulfoxide at 20℃; for 12.5 h; Cooling with ice 2-amino pyrazine (20 g, 0.21 mmol) and DMSO (300 mL), was dissolved in water (10 mL), and the at ice bath N- iodosuccinimide ( 49.7 g, 0.22mmol) was added, after stirring for 30 minutes, stirred at room temperature for 12 hours. Ethyl acetate - extracted from the water, the organic layer was washed with saturated brine, dried over anhydrous sodium sulfate, and concentrated under reduced pressure. The obtained residue was purified by silica gel column chromatography (hexane: ethyl acetate = 1: 1) as eluant to afford the title compound (18.5 g, 40percent) as a yellow solid
Reference: [1] Patent: CN106674137, 2017, A, . Location in patent: Paragraph 0009-0011; 0012-0014; 0015-0016
[2] Heterocycles, 2012, vol. 86, # 2, p. 1323 - 1339
[3] Patent: JP2015/54838, 2015, A, . Location in patent: Paragraph 0083; 0084
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