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Chemical Structure| 928775-04-6 Chemical Structure| 928775-04-6

Structure of 928775-04-6

Chemical Structure| 928775-04-6

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Product Details of [ 928775-04-6 ]

CAS No. :928775-04-6
Formula : C9H9BrN2O
M.W : 241.09
SMILES Code : O=C1N(C2=NC=C(Br)C=C2)CCC1
MDL No. :MFCD12827993

Safety of [ 928775-04-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Application In Synthesis of [ 928775-04-6 ]

* 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 [ 928775-04-6 ]

[ 928775-04-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 928775-04-6 ]
  • [ 73183-34-3 ]
  • [ 1201644-51-0 ]
YieldReaction ConditionsOperation in experiment
47% With potassium acetate;dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; In dimethyl sulfoxide; at 80.0℃;Inert atmosphere; Intermediate 33 (214 mg, 0.89 mmol) was placed in a 10 mL flask. Bis(pinacolato)diborane (451 mg, 2.0 eq.) was added, followed by KOAc (261 mg, 3.0 eq.) and the catalyst (67 mg, 0.1 eq.). The flask was purged with N2 and DMSO (3 mL) was added. The mixture was degassed for 1 h before heating up to 80 C. and keeping this temperature o.n. The mixture was diluted with EtOAc and passed through a short Celite pad. The Celite was washed with EtOAc, and the filtrate was concentrated and washed with brine. The combined organic layers were dried (Na2SO4) and concentrated. The residue was purified by column (EtOAc/petroleum ether=1:3 to 1:1). The desired product (Intermediate 34) was obtained as a white solid (120 mg, 47%). 1HNMR (400 MHz, DMSO-d6, ppm): 8.57 (d, J=0.8 Hz, 1H); 8.33 (dd, J=8.4, 0.8 Hz, 1H); 8.00 (dd, J=8.4, 1.6 Hz, 1H); 4.00 (t, J=7.2 Hz, 2H); 2.60 (t, J=8.0 Hz, 2H); 2.05 (m, 2H), 1.31 (m, 12H).
 

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