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Chemical Structure| 1398507-09-9 Chemical Structure| 1398507-09-9

Structure of 1398507-09-9

Chemical Structure| 1398507-09-9

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Product Details of [ 1398507-09-9 ]

CAS No. :1398507-09-9
Formula : C11H7BrClN5
M.W : 324.56
SMILES Code : N#CC1C=CC(NC2N=C(N)C(Br)=C(Cl)N=2)=CC=1

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Application In Synthesis of [ 1398507-09-9 ]

* 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 [ 1398507-09-9 ]

[ 1398507-09-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1398507-08-8 ]
  • [ 1398507-09-9 ]
YieldReaction ConditionsOperation in experiment
423 mg With bromine; In methanol; at 0 - 5℃; for 2.16667h; Example 2a: Preparation of 4-(4-amino-5-bromo-6-chloropyrimidin-2-ylamino) benzonitrile ("Compound 3a")A suspension of <strong>[1398507-08-8]4-(4-amino-6-chloropyrimidin-2-ylamino)benzonitrile</strong> ("<strong>[1398507-08-8]CAPBN</strong>", compound la; 0.4 g; 1.628 mmol) in methanol (5 ml) was cooled to 0-5 C. Bromine (167.2 mu?; 3.26 mmol; 2 eq) was added dropwise to the suspension over 10 minutes. The resulting reaction mixture was stirred at 0-5 C for 2 hours, and then water (0.83 ml) and 10 % aqueous NaOH (1.95 ml; 4.88 mmol; 3 eq) was added dropwise. The resulting suspension was stirred lhour at 0- 5 C. A solid was separated from the suspension by filtration and washed with a MeOH / water mixture (1 : 1 ; 3 ml), and dried (4h/ 40 CI 10 mbar).Yield: 423 mg (80.1 %) of 4-(4-amino-5-bromo-6-chloropyrimidin-2-ylamino)benzonitrile. Purity (HPLC/ MS): 95.71 Area %M+ 326.4 (± 2)1H NMR (DMSO-de, delta): 10.06 (s, 1H, NH), 7.96 (d, 2H, Ph-b, Ji=8.8 Hz), 7.70 (d, 2H, Ph-c, Ji=8.8 Hz), 7.50-6.50 (br, 2H, NH2)13C NMR (DMSO-^6, delta): 161.9 (s, C2), 157.0 (s, C6), 156.7 (s, C4), 144.7 (s, Ph-a), 132.9 (d, Ph-c), 1 19.6 (s, CN), 1 18.5 (d, Ph-b), 102.6 (s, Ph-d), 89.8 (s, C5)1H NMR and 13C NMR spectra for this product are shown in figures 1-2 and 3-4, respectively.
  • 2
  • [ 5637-42-3 ]
  • [ 1398507-09-9 ]
 

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