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Chemical Structure| 54569-28-7 Chemical Structure| 54569-28-7

Structure of 54569-28-7

Chemical Structure| 54569-28-7

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Product Details of [ 54569-28-7 ]

CAS No. :54569-28-7
Formula : C8H5BrN2
M.W : 209.04
SMILES Code : BrC1=C2C=CC=NC2=NC=C1
MDL No. :MFCD11520860
InChI Key :QYXNSNJTMIEAPG-UHFFFAOYSA-N
Pubchem ID :12422527

Safety of [ 54569-28-7 ]

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

Application In Synthesis of [ 54569-28-7 ]

* 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 [ 54569-28-7 ]

[ 54569-28-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1166829-70-4 ]
  • [ 54569-28-7 ]
  • ethyl 2-(4-(1,8-naphthyridin-4-yl)cyclohex-3-en-1-yl)acetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In 1,4-dioxane; water; at 100℃; A mixture of 4-bromo-l,8-naphthyridine (1.02 g, 4.88 mmol), ethyl 2-(4- (4,4,5, 5-tetramethyl-l,3,2-dioxaborolan-2-yl)cyclohex-3-en-l-yl)acetate (1.479 g, 5.03 mmol), Na2C03 (2.069 g, 19.52 mmol), and Pd(Ph3P)4 (0.282 g, 0.244 mmol) in dioxane (45.2 ml) and water (15.06 ml) was heated at 100 C ovemight. The reaction was quenched with water and diluted with EtOAc. Layers were separated. The aqueous phase was extracted with EtOAc (2X). The organics were combined, dried over Na2S04, filtered, and concentrated to afford a brown residue. Purification of the crude material by silica gel chromatography using an ISCO machine (80 g column, 60 mL/min, 0-10% MeOH in CH2CI2 over 14 min, tr = 8.5 min) gave ethyl 2-(4-(l,8-naphthyridin-4-yl)cyclohex-3-en-l- yl)acetate as an orange residue. ESI MS (M+H)+ = 297.2. HPLC Peak tr = 0.69 minutes. HPLC conditions: A
 

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