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Chemical Structure| 1260853-69-7 Chemical Structure| 1260853-69-7

Structure of 1260853-69-7

Chemical Structure| 1260853-69-7

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Product Details of [ 1260853-69-7 ]

CAS No. :1260853-69-7
Formula : C8H6ClIN2
M.W : 292.50
SMILES Code : CN1N=C(I)C2=C1C=CC(Cl)=C2
MDL No. :MFCD12756572

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Application In Synthesis of [ 1260853-69-7 ]

* 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 [ 1260853-69-7 ]

[ 1260853-69-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 351456-45-6 ]
  • [ 74-88-4 ]
  • [ 1260853-69-7 ]
  • 2
  • [ 351456-45-6 ]
  • [ 74-88-4 ]
  • [ 1260853-69-7 ]
  • [ 1613515-58-4 ]
YieldReaction ConditionsOperation in experiment
70%; 25% 5-Chloro-3-iodo-indazole (1.0 g, 3.6 mmol) was stirred in DMF (8 mL) at 0 C. under N2. NaH (60%, 159 mg, 3.96 mmol) was added, and the reaction stirred 45 min. Iodomethane (260 muL, 4.14 mmol) was added, and the reaction stirred 45 min while warming to rt. The solution was quenched with MeOH and concentrated. Purification by silica gel chromatography (10%-40% EtOAc/hexanes gave two isomers: 5-chloro-3-iodo-1-methyl-1H-indazole (740 mg, 70%) was isolated as the major isomer eluting first. 1H NMR (400 MHz, CDCl3): delta 4.09 (3H, s), 7.30 (1H, d, J=8.9 Hz), 7.39 (1H, dd, J=8.9, 1.6 Hz), 7.47 (1H, d, J=1.6 Hz). [M+H] calc'd for C8H6ClIN2, 293, 295. found 293, 295. 5-chloro-3-iodo-2-methyl-2H-indazole (268 mg, 25%) was isolated as the minor isomer eluting second. 1H NMR (400 MHz, CDCl3): delta 4.24 (3H, s), 7.24 (1H, dd, J=9.1, 2.0 Hz), 7.38 (d, 1H, J=1.9 Hz), 7.59 (1H, d, J=9.1 Hz). [M+H] calc'd for C8H6ClN2, 293, 295. found 293, 295.
 

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