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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
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Inaccessible (Haz class 6.1), International USD 150+
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Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 98420-98-5 Chemical Structure| 98420-98-5

Structure of 98420-98-5

Chemical Structure| 98420-98-5

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Product Details of [ 98420-98-5 ]

CAS No. :98420-98-5
Formula : C11H8BrN
M.W : 234.09
SMILES Code : BrC1=CC(=NC=C1)C1=CC=CC=C1
MDL No. :MFCD11656282
InChI Key :HCQHVQSQHXZRGA-UHFFFAOYSA-N
Pubchem ID :13498002

Safety of [ 98420-98-5 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H311-H331
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Class:6.1
UN#:2810
Packing Group:

Application In Synthesis of [ 98420-98-5 ]

* 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 [ 98420-98-5 ]

[ 98420-98-5 ] Synthesis Path-Downstream   1~5

  • 2
  • [ 58530-53-3 ]
  • [ 24388-23-6 ]
  • [ 54151-74-5 ]
  • [ 98420-98-5 ]
YieldReaction ConditionsOperation in experiment
6%; 89% With palladium diacetate; triphenylphosphine; potassium hydroxide; In acetonitrile; for 24h;Inert atmosphere; Reflux; General procedure: 2,4-dibromopyridine (0.12 g, 0.50 mmol), phenylboronic acid pinacol ester (0.11 g, 0.55 mmol), KOH (56 mg, 1.0 mmol), Pd(OAc)2 (11 mg, 5 mol %), PPh3 (52 mg, 20 mol %) were dissolved in CH3CN (6 mL). The reaction was stirred at 70 C under nitrogen atmosphere for 24 h and then cooled. The solid was filtrated off and the filtrate was concentrated. The crude product was then dissolved in CH2Cl2 (10 mL) and the solution was washed with water (10 mL*3) and brine (10 mL), and dried over sodium sulfate. Upon evaporation, the resulting residue was subjected to column chromatography (petroleum ether/AcOEt, 400:1) to give 3w (104 mg, 89%) as a colorless liquid.
  • 3
  • [ 58530-53-3 ]
  • [ 24388-23-6 ]
  • [ 54151-74-5 ]
  • [ 26274-35-1 ]
  • [ 98420-98-5 ]
YieldReaction ConditionsOperation in experiment
13%; 9%; 37% With palladium(II) trifluoroacetate; triphenylphosphine; potassium hydroxide; In acetonitrile; at 30℃; for 24h;Inert atmosphere; General procedure: 2,5-dibromopyridine (0.12 g, 0.50 mmol), phenylboronic acid (67 mg, 0.55 mmol), K2CO3 (0.14 g, 1.0 mmol), Pd(OAc)2 (11 mg, 5 mol %), PPh3 (26 mg, 10 mol %) were dissolved in CH3CN/CH3OH (2:1, 6 mL). The solution was stirred at 50 C under nitrogen atmosphere for 24 h and then cooled and the solid was filtered off. The filtrate was then concentrated and the resulting crude product was dissolved in CH2Cl2 (10 mL). The solution was washed with water (10 mL*3) and brine (10 mL), and dried over sodium sulfate. Upon removal of the solvent with a rotavapor, the resulting residue was subjected to column chromatography (petroleum ether/AcOEt, 400:1) to give the desired product 3a (114 mg, 97%) as a white solid.
  • 4
  • [ 58530-53-3 ]
  • [ 603-33-8 ]
  • [ 54151-74-5 ]
  • [ 26274-35-1 ]
  • [ 98420-98-5 ]
  • 5
  • [ 58530-53-3 ]
  • [ 100-58-3 ]
  • [ 54151-74-5 ]
  • [ 26274-35-1 ]
  • [ 98420-98-5 ]
 

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