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Chemical Structure| 381218-96-8 Chemical Structure| 381218-96-8

Structure of 381218-96-8

Chemical Structure| 381218-96-8

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Product Details of [ 381218-96-8 ]

CAS No. :381218-96-8
Formula : C21H16BN3O2
M.W : 353.18
SMILES Code : OB(C1=CC=C(C2=CC(C3=NC=CC=C3)=NC(C4=NC=CC=C4)=C2)C=C1)O
MDL No. :N/A
InChI Key :PZDWKAXANGABFR-UHFFFAOYSA-N
Pubchem ID :85798657

Safety of [ 381218-96-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 381218-96-8 ]

* 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 [ 381218-96-8 ]

[ 381218-96-8 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 381218-96-8 ]
  • [ 10016-52-1 ]
  • C54H34N6O [ No CAS ]
YieldReaction ConditionsOperation in experiment
70% With tetrakis(triphenylphosphine) palladium(0); sodium hydroxide; In tetrahydrofuran; water; for 48h;Reflux; Inert atmosphere; To a round bottom flask, Diphenylene-oxide (8.40 g, 50 mmol), bromine (2.6 mL) dissolved in 30 mL glacial acetic acid were added. The resultant suspension was heating for 6 h under nitrogen at 120 C. After cooling to 25 C, the intermediate product 2 was recovered by filtration and recrystallization in acetic acid and vacuum drying as a white solid (12.2 g, 75percent). 1H NMR (400 MHz,CDCl3) d (ppm): 8.03 (s, 2H), 7.58 (d, J 8.0 Hz, 2H), 7.44 (d, J 8 Hz,2H) (Fig. S27) [46]. To a solution of 2 (0.324 g, 1.0 mmol) and 4-([2,2': 6', 2''- terpyridyl]-4'-) - benzene boric acid (0.88 g,2.50 mmol) in THF (100 mL), aqueous NaOH (160 mg, 4.0 mmol) was added. The mixture was degassed for 10 min, then Pd(PPh3)4(115 mg, 0.10 mmol) was added. Following the procedure L1, thepure product L2was obtained as a white solid (0.55 g, 70percent). 1H NMR(400 MHz, CDCl3) d (ppm): 8.81 (s, 4H), 8.74 (d, J 4.0 Hz, 4H), 8.68(d, J 4.0 Hz, 4H), 8.29 (s, 2H), 8.04 (d, J 5.0 Hz, 4H), 7.87 (t,J 5.0 Hz, 4H), 7.84 (d, J 5.0 Hz, 4H), 7.78 (d, J 5.0 Hz, 2H), 7.67(d, J 5.0 Hz, 2H), 7.35 (t, J 5.0 Hz, 4H) (Fig. S28) [28].
  • 2
  • [ 381218-96-8 ]
  • [ 74137-36-3 ]
  • C49H34N6O [ No CAS ]
  • 3
  • [ 381218-96-8 ]
  • [ 74137-36-3 ]
  • C28H20BrN3O [ No CAS ]
 

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