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Chemical Structure| 939054-45-2 Chemical Structure| 939054-45-2

Structure of 939054-45-2

Chemical Structure| 939054-45-2

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Product Details of [ 939054-45-2 ]

CAS No. :939054-45-2
Formula : C11H13BrN2
M.W : 253.14
SMILES Code : CC(C)CN1C=NC2=CC=C(Br)C=C12
MDL No. :MFCD27933786

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Application In Synthesis of [ 939054-45-2 ]

* 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 [ 939054-45-2 ]

[ 939054-45-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 939054-45-2 ]
  • [ 376584-63-3 ]
  • 1-isobutyl-6-(1H-pyrazol-5-yl)-1H-benzo[d]imidazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium carbonate;tetrakis(triphenylphosphine) palladium(0); In ethanol; water; toluene; at 170℃; for 0.333333h;Microwave irradiation; A mixture of compound 129 (90 mg), <strong>[376584-63-3]1H-pyrazol-5-ylboronic acid</strong> (60 mg), tetrakis(triphenylphosphine)palladium(0) (42 mg), 2M Na2CO3 (0.1 mL), ethanol (0.2 mL) and toluene (0.8 mL) was irradiated with microwaves (170° C., 20 min). Water was added to the mixture and the mixture was extracted with ethyl acetate. The organic layer was washed with brine, dried over MgSO4, and concentrated in vacuo. The residue was purified with HPLC to give the title compound (10 mg) as a colorless oil. 1H NMR (400 MHz, CHLOROFORM-d) delta 0.99 (d, J=6.57 Hz, 6H), 2.16-2.40 (m, 1H), 4.01 (dd, J=7.20, 5.94 Hz, 2H), 6.73 (br. s., 1H), 7.29-7.48 (m, 3H), 7.70 (d, J=7.33 Hz, 1H), 7.79-7.93 (m, 2H). [M+H] calc'd for C14H16N4 241; found, 241.
 

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