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Chemical Structure| 548797-51-9 Chemical Structure| 548797-51-9

Structure of 548797-51-9

Chemical Structure| 548797-51-9

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Product Details of [ 548797-51-9 ]

CAS No. :548797-51-9
Formula : C13H15BClNO2
M.W : 263.53
SMILES Code : N#CC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1Cl
MDL No. :MFCD16996249
InChI Key :ZOSROBSLLRBHDG-UHFFFAOYSA-N
Pubchem ID :57926113

Safety of [ 548797-51-9 ]

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

Application In Synthesis of [ 548797-51-9 ]

* 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 [ 548797-51-9 ]

[ 548797-51-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 548797-51-9 ]
  • [ 1227573-02-5 ]
  • [ 1308669-84-2 ]
YieldReaction ConditionsOperation in experiment
18% With sodium carbonate;dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; In N,N-dimethyl-formamide; at 100℃; for 4h;Inert atmosphere; Step 3: 2-Chloro-4-(5-fluoro-4-formyl-pyridin-3-yl)-benzonitrile (15c)To the solution of 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (264 mg, 1.00 mmol), <strong>[1227573-02-5]3-bromo-5-fluoroisonicotinaldehyde</strong> (204 mg, 1.00 mmol) and PdCI2(PPh3)2 (56 mg, 0.08 mmol) in DMF (3 mL) was added 2M Na2C03 solution (1.50 ml, 3.00 mmol) under nitrogen atmosphere. The mixture was stirred and heated at 100°C for 4hrs. After letting cool to room temperature, solvent was removed in vacuo. The resulting residue was dissolved in DCM and saturated NH4CI solution. After extraction and separation, the combined extracts were concentrated and purified by SNAPI Og (10percentMeOH/DCM 0- 15percentgradient) to give 2-chloro-4-(5-fluoro-4-formylpyridin-3-yl)benzonitrile (47 mg, 18percent) as a white solid.; ESI-MS m/z: 293 [M+MeOH+1]+, Retention time 1.15min. -NMR (CDCI3, 400 MHz) delta 7.33 (dd, J= 8.0, 1.6 Hz, 1 H), 7.50 (d, J= 1.6 Hz, 1 H), 7.78 (d, J= 8.0 Hz, 1 H), 8.49 (s, 1 H), 8.78 (d, J= 1.2 Hz, 1H), 10.27 (s, 1H)
  • 2
  • [ 548797-51-9 ]
  • [ 1227573-02-5 ]
  • [ 1308668-85-0 ]
 

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[ 548797-51-9 ]

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