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Chemical Structure| 56817-09-5 Chemical Structure| 56817-09-5

Structure of 56817-09-5

Chemical Structure| 56817-09-5

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Product Details of [ 56817-09-5 ]

CAS No. :56817-09-5
Formula : C6H4ClN3O
M.W : 169.57
SMILES Code : O=C1N2C(C=C(Cl)N1)=NC=C2
MDL No. :MFCD20502311
InChI Key :MORDDYJPVSRHAG-UHFFFAOYSA-N
Pubchem ID :21320102

Safety of [ 56817-09-5 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 56817-09-5 ]

* 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 [ 56817-09-5 ]

[ 56817-09-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 894807-98-8 ]
  • [ 56817-09-5 ]
  • [ 1339891-67-6 ]
YieldReaction ConditionsOperation in experiment
76% With potassium phosphate;tris-(dibenzylideneacetone)dipalladium(0); XPhos; In water; isopropyl alcohol; for 24h;Inert atmosphere; Reflux; Step A: Preparation of 7-(l-((2-(trimethylsilyl)ethoxy methyl)-lH-pyrazol-4- vDimidazor 1 ,2-clpyrimidin-5(6H -one: A flask was charged with 7-chloroimidazo[l ,2- c]pyrimidin-5(6H)-one (Preparation H; 1.02 g, 6.00 mmol), 4-(4,4,5,5-tetramethyl-l ,3,2- dioxaborolan-2-yl)-l-((2-(trimethylsilyl)ethoxy)methyl)-lH-pyrazole (Preparation E, 3.24 g, 9.00 mmol), K3P04 (2.55 g, 12.0 mmol) and XPHOS (0.572 g, 1.20 mmol). Degassed iPrOH (24 mL) and degassed H20 (2 mL) were added and the suspension was sonicated for 1-2 minutes. The mixture was purged with N2 for 10 minutes with vigorous mixing and Pd2dba3 (0.549 g, 0.600 mmol) was added. The mixture was heated at reflux under an N2 atmosphere for 24 hours and was cooled to ambient temperature. The mixture was diluted with EtOAc (20 mL) and was sonicated for 5 minutes. The suspension was filtered through a packed Celite plug (EtOAc elution) and concentrated to give an orange, oily solid. The solid was treated with Et20 and was stirred until a granular suspension formed. The solid was collected, washed with Et20 and H20 and dried in vacuum to give the title compound (1. 1 g, 76percent yield) as a light tan powder. MS (apci) m/z = 332.3 (M+H).
 

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