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Chemical Structure| 1246922-88-2 Chemical Structure| 1246922-88-2

Structure of 1246922-88-2

Chemical Structure| 1246922-88-2

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Product Details of [ 1246922-88-2 ]

CAS No. :1246922-88-2
Formula : C6H7BrN2O2
M.W : 219.03
SMILES Code : BrC(C=N1)=CN=C1OCCO
MDL No. :MFCD18903072

Safety of [ 1246922-88-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Application In Synthesis of [ 1246922-88-2 ]

* 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 [ 1246922-88-2 ]

[ 1246922-88-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 146533-41-7 ]
  • [ 1246922-88-2 ]
  • 5-(4-bromophenyl)-4-(2-((5-bromopyrimidin-2-yl)oxy)ethoxy)-6-chloropyrimidine [ No CAS ]
YieldReaction ConditionsOperation in experiment
85% With potassium tert-butylate; In toluene; at 10 - 25℃; for 1.5h; <strong>[146533-41-7]5-(4-bromophenyl)-4,6-dichloropyrimidine</strong> (26.7 g; 88.0 mmol) and (0279) 2-((5-bromopyrimidin-2-yl)oxy)ethanol (20 g; 91.3 mmol; 1.04 eq.; prepared as described in Kokatla and Lakshman, Org. Lett. (2010), 12, 4478-4481) were suspended in toluene (266 mL). KOtBu (1 1.3 g, 101 mmol, 1.15 eq.) was added portionwise at 10-20C. The resulting mixture (white suspension to orange mixture) was stirred at 20-25C. After 1.5 h, 40% aq. citric acid (100 mL) was added until pH is around 2-3. The layers were separated. The org. phase was washed 3 times with water (100 mL) and concentrated to dryness to give crude title compound as an orange oil (46 g). MeOH (65 mL) was added and a yellow precipitate was formed. More MeOH (160 mL) was added and the resulting suspension was slurried under reflux for 30 min. It was cooled to 20-25C. It was filtered off, rinsed with MeOH and dried under vacuum to yield the title compound as a white powder (36.3 g; 85% yield). (0280) XH-NMR (CDC13) delta: 8.54 (s, 1H); 8.50 (s, 2H); 7.55-7.51 (m, 2H); 7.22-7.18 (m, 2H); 4.78-4.74 (m, 2H); 4.66-4.64 (m, 2H). (0281) [M+l]+ = 485 and 487. (0282) LC-MS (method 1): tR = 1.97 min; 96.5% a/a
 

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