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Chemical Structure| 867330-26-5 Chemical Structure| 867330-26-5

Structure of 867330-26-5

Chemical Structure| 867330-26-5

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Product Details of [ 867330-26-5 ]

CAS No. :867330-26-5
Formula : C8H7BrN4
M.W : 239.07
SMILES Code : NC1=NC2=C(C)C=C(Br)C=C2N=N1
MDL No. :MFCD12031506

Safety of [ 867330-26-5 ]

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 [ 867330-26-5 ]

* 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 [ 867330-26-5 ]

[ 867330-26-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 867330-26-5 ]
  • [ 89694-46-2 ]
  • [ 867330-72-1 ]
YieldReaction ConditionsOperation in experiment
84% With sodium carbonate;tetrakis(triphenylphosphine) palladium(0); In 1,2-dimethoxyethane; ethanol; water; for 4h;Heating / reflux; Example 50 Synthesis of 7-(2-chloro-5-methoxy-phenyl)-5-methyl-benzo[1,2,4]triazin-3-ylamine 7-bromo-5-methyl-benzo[1,2,4]triazin-3-ylamine (33.47 mmol, 1.0 equiv), 1-chloro-4-methoxy-2-boronic acid (50.21 mmol, 1.5 equiv), Pd(PPH3)4 (3.347 mmol, 0.1 equiv), and Na2CO3 (133.9 mmol, 4.0 equiv) dissolved in DME/EtOH/water 6:1:1 and refluxed at 100° C. under an argon blanket for 4 h. The reaction was cooled to room temperature and diluted with 100 mL DCM and filtered. Precipitate recovered was suspended in water, filtered and rinsed with ether. Precipitate afforded product: 7-(2-chloro-5-methoxy-phenyl)-5-methyl-benzo[1,2,4]triazin-3-ylamine, a green solid (8.37 g, 84percent yield). Rf=0.85 (9:1 DCM/MeOH). 1H NMR (DMSO-d6): delta 3.35 (s, 6H), 7.01 (dd, J=8.8 Hz, J=3.0, 1H), 7.09 (d, J=3.0 Hz, 1H), 7.48 (d, J=8.8 Hz, 1H), 7.75 (bm, 2H). MS (ES+) m/z=303. LC retention time 3.03 min.
 

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