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Chemical Structure| 1059174-68-3 Chemical Structure| 1059174-68-3

Structure of 1059174-68-3

Chemical Structure| 1059174-68-3

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Product Details of [ 1059174-68-3 ]

CAS No. :1059174-68-3
Formula : C5H3BrN4
M.W : 199.01
SMILES Code : N#CC1=NC=C(Br)C(N)=N1
MDL No. :MFCD13193627

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Application In Synthesis of [ 1059174-68-3 ]

* 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 [ 1059174-68-3 ]

[ 1059174-68-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1059174-68-3 ]
  • [ 23152-99-0 ]
  • 4-amino-5-[4-(1-methylethyl)phenyl]ethynyl}pyrimidine-2-carbonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
100% With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In tetrahydrofuran; at 100℃; for 0.5h;Microwave irradiation; A mixture of 4-amino-5-bromopyrimidine-2-carbonitrile from above (30 mg, 0.151 mmol), 1- ethynyl-4-(l-methylethyl)benzene (33 mg, 0.226 mmol), copper(I)-iodide (5.7 mg, 0.030 mmol), Pd(PPh3)2Cl2 (10.6 mg, 0.015 mmol) and Et3N (42 mu, 0.301 mmol) in THF (0.8 ml) was heated in the microwave reactor at 100 C for 30 min. The mixture was poured into water and DCM was added. The aqueous phase was extracted with DCM. The combined organic phases were evaporated and the crude product purified by flash column chromatography using 50%) EOAc in n-heptane as eluent. Yield: 40 mg (quant.); yellow solid. MS (ESI+) m/z 263 [M+H]+. HPLC purity: 98%.
 

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