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Chemical Structure| 860034-09-9 Chemical Structure| 860034-09-9

Structure of 860034-09-9

Chemical Structure| 860034-09-9

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Product Details of [ 860034-09-9 ]

CAS No. :860034-09-9
Formula : C7H8BNO5
M.W : 196.95
SMILES Code : O=[N+](C1=CC(OC)=CC=C1B(O)O)[O-]
MDL No. :MFCD09878340

Safety of [ 860034-09-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 860034-09-9 ]

* 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 [ 860034-09-9 ]

[ 860034-09-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 666746-27-6 ]
  • [ 860034-09-9 ]
  • tert-butyl 4′-methoxy-3-methyl-2′-nitrobiphenyl-4-ylcarbamate [ No CAS ]
  • 2
  • [ 19591-17-4 ]
  • [ 860034-09-9 ]
  • C15H14N2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
91% With tetrakis(triphenylphosphine) palladium(0); cesium fluoride; In 1,2-dimethoxyethane; at 70℃; for 18h;Inert atmosphere; Compound 9 (74 mg, 0.375 mmol) and 10 (65 mg, 0.25 mmol) were dissolved in DME(3 mL), CsF (85 mg, 0.56 mmol), and tetrakistriphenylphosphine palladium (29 mg,0.025 mmol) were added under nitrogen. The resulting mixture was then heated to70 C for 18 h. The mixture was then extracted with water and EtOAc. The organiclayer was then dried over anhydrous Na2SO4 and the solvent was removed in vacuo.The crude material was then purified on silica (40 g, eluting with hexanes/EtOAc, 2:1)to yield the title compound 11 (65 mg, 91%) as a yellow oil. Rf = 0.31(hexanes/EtOAc, 1:1). 1H NMR (400 MHz, acetone-d6): δ 8.38 (s, 1H), 7.89 (d, J =7.9 Hz, 1H), 7.54 (d, J = 2.4 Hz, 1H), 7.37-7.31 (m, 3H), 7.20-7.15 (m, 2H), 3.96 (s,3H), 1.87 (s, 3H); 13C NMR (100 MHz, acetone-d6): δ 168.8, 160.5, 150.9, 137.1,134.6, 130.3, 129.0, 126.0, 125.4, 124.8, 119.8, 110.1, 56.4, 23.6; EI-MS m/z 286 (M+100); HRMS (EI) m/z calcd for C15H14N2O4 [M]+ 286.0948, found 286.0949; Anal.Calcd for C15H14N2O4: C, 62.93; H, 4.93; N, 9.79, found C, 62.56; H, 4.86; N, 9.74.
 

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