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Structure of 352534-79-3

Chemical Structure| 352534-79-3

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Product Details of [ 352534-79-3 ]

CAS No. :352534-79-3
Formula : C7H6BFO3
M.W : 167.93
SMILES Code : OB(O)C1=C(F)C=CC(C=O)=C1
MDL No. :MFCD03095100
InChI Key :SQSWYWCEKCVQEA-UHFFFAOYSA-N
Pubchem ID :2763240

Safety of [ 352534-79-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501

Application In Synthesis of [ 352534-79-3 ]

* 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 [ 352534-79-3 ]

[ 352534-79-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 352534-79-3 ]
  • [ 84539-22-0 ]
  • 4-fluoro-3-[2-(morpholin-4-yl)pyrimidin-5-yl]benzaldehyde [ No CAS ]
YieldReaction ConditionsOperation in experiment
96% With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In 1,2-dimethoxyethane; water; at 80℃; for 2.5h;Inert atmosphere; General procedure: To a solution of <strong>[84539-22-0]4-(5-bromopyrimidin-2-yl)morpholine</strong> (17;4.10 g, 16.8 mmol) and ethyl [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate (6.34 g, 21.8 mmol) in DME(82 mL)/H2O (41 mL) were added Na2CO3 (5.34 g, 50.4 mmol),and Pd(PPh3)4 (1.94 g, 1.68 mmol) under an argon atmosphere.The mixture was stirred at 80 C for 2.5 h. After being cooled toroom temperature, the mixture was diluted with H2O and EtOAc.The mixture was filtered, and the filtrate was separated. Theorganic layer was washed with H2O and brine, dried over Na2SO4,and concentrated in vacuo. The residue was purified by columnchromatography on silica gel (hexane/EtOAc = 17:3 to 3:2) and columnchromatography on amino functionalized silica gel (hexane/EtOAc = 9:1 to 7:3) to give the product (5.29 g, 96%) as a colorlesssolid. 1H NMR (DMSO-d6): d 1.19 (3H, t, J = 7.1 Hz), 3.64-3.79 (8H,m), 3.72 (2H, s), 4.10 (2H, q, J = 7.1 Hz), 7.25 (1H, d, J = 7.6 Hz),7.35-7.45 (1H, m), 7.50-7.58 (2H, m), 8.70 (2H, s); MS (ESI) m/z[M+H]+ 328.
 

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