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Chemical Structure| 381218-94-6 Chemical Structure| 381218-94-6

Structure of 381218-94-6

Chemical Structure| 381218-94-6

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Product Details of [ 381218-94-6 ]

CAS No. :381218-94-6
Formula : C20H20BN3O2
M.W : 345.20
SMILES Code : CC1(C)COB(C2=CC(C3=NC=CC=C3)=NC(C4=NC=CC=C4)=C2)OC1

Safety of [ 381218-94-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Application In Synthesis of [ 381218-94-6 ]

* 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 [ 381218-94-6 ]

[ 381218-94-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 40000-20-2 ]
  • [ 381218-94-6 ]
  • C27H17N5 [ No CAS ]
YieldReaction ConditionsOperation in experiment
73% With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; In dimethyl sulfoxide; at 100℃; for 24h;Inert atmosphere; To a mixture of 14 (345 mg, 1 mmol), 15 (260 mg, 1 mmol), Pd(PPh3)2Cl2 (35 mg, 5 molpercent) and anhyd. K2CO3 (553 mg, 4 mmol)was added dry DMSO (5 mL) and degassed with N2 for 15 min.The mixture was then heated at 100 C for 24 h. After cooling,H2O (10 mL) was added to the reaction mixture and the precipitatewhich formed was collected and washed with H2O (20 mL), EtOH(20 mL), acetone (5 mL) and allowed to dry under vacuum to provide 4 as a brown solid (300 mg, 73percent): mp 195 C dec; 1H NMR(500 MHz, CDCl3) d 9.32 (m, 2H), 8.77 (d, 2H, J = 8.2 Hz), 8.72 (m,4H), 8.44 (d, 1H, J = 8.2 Hz), 8.39 (d, 1H, J = 7.8 Hz), 8.03 (s, 1H),7.97 (t, 2H, J = 7.5 Hz), 7.76 (dd, 1H, J = 7.8, 3.2 Hz), 7.69 (dd, 1H,J = 8.2, 4.1 Hz), 7.42 (m, 2H); 13C NMR (125 MHz, CDCl3) d 155.9,155.8, 150.8, 150.4, 149.3, 148.9, 146.3, 146.1, 137.2, 136.8,136.4, 134.3, 128, 127.2, 127.1, 124.2, 123.7, 123.3, 122.1, 121.6.
 

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