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Structure of 902837-45-0

Chemical Structure| 902837-45-0

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Product Details of [ 902837-45-0 ]

CAS No. :902837-45-0
Formula : C8H10INO
M.W : 263.08
SMILES Code : CCCOC1=NC=CC=C1I
MDL No. :MFCD07781164
InChI Key :WWMBXRKMRZDRFH-UHFFFAOYSA-N
Pubchem ID :42553132

Safety of [ 902837-45-0 ]

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

Application In Synthesis of [ 902837-45-0 ]

* 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 [ 902837-45-0 ]

[ 902837-45-0 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1107616-82-9 ]
  • [ 902837-45-0 ]
  • [ 1107619-61-3 ]
YieldReaction ConditionsOperation in experiment
10% With potassium phosphate; ethylene glycol;copper(l) iodide; In butan-1-ol; at 100℃; for 5h; Into a flamed flask flushed with nitrogen a mixture of CuI (19.4 mg. 0.1 mmol)), K3PO4 (425 mg, 2 mmol), ethylene glycol (112 μL), <strong>[902837-45-0]3-iodo-2-propoxypyridine</strong> (263 mg, 1 mmol) in 1 mL of n-Butanol were added 255 mg of the compound of Example 3 dissolved in 1 mL of n-Butanol. The suspension was heated at 100 C. for 5 h. The reaction mixture was then cooled to r.t., diluted with EtOAc, washed with aq., NaHCO3 and water, dried over Na2SO4 and evaporated to dryness in vacuo. After the work-up the residue was purified by automated flash liquid chromatography (Horizon-Biotage) eluting with PE-EtOAc 8:2. affording the title product (32 mg, 10%).1H-NMR (CDCl3, δ): 1.10 (t, J=8.0 Hz, 3H); 1.85-1.92 (m, 2H); 2.53-2.56 (m, 2H); 2.58 (s, 3H); 2.83-2.85 (m, 2H); 3.14-3.19 (m, 4H); 4.35 (t, J=8.0 Hz, 2H); 5.60 (s, 1H); 6.82-6.85 (m, 1H); 7.08-7.10 (m, 2H); 7.26-7.28 (m, 1H); 7.55 (t, J=8.0 Hz, 1H); 7.80 (d, J=8.0 Hz, 1H).MS: [M+H]+=348.43
YieldReaction ConditionsOperation in experiment
46% General procedure: Isopropyl alcohol (0.043 g, 717 mmol) was dissolved in dry DMF (3 mL). NaH (60 %)(0.03 g, 0.71 mmol) wasslowly added dropwise thereto at 0C, and the mixture was stirred for 30 minutes. The mixture was slowly added to aflask containing 2-fluoro-3-iodopyridine (0.10 g, 0.44 mmol) and stirred at room temperature for 1 hour. NH4Cl aqueoussolution was added to the reaction solution, and the reaction solution was extracted with EtOAc to separate an organiclayer. The organic layer was dried with anhydrous MgSO4 and purified by column chromatography (eluent, EtOAc/Hex= 1/4) to obtain the title compound (0.029 g, 24 %).
 

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