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Chemical Structure| 885518-92-3 Chemical Structure| 885518-92-3

Structure of 885518-92-3

Chemical Structure| 885518-92-3

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Product Details of [ 885518-92-3 ]

CAS No. :885518-92-3
Formula : C8H7IN2
M.W : 258.06
SMILES Code : CC1=CC2=C(NN=C2I)C=C1
MDL No. :MFCD07781621
InChI Key :IZIWHSYVQDJETA-UHFFFAOYSA-N
Pubchem ID :20784810

Safety of [ 885518-92-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 885518-92-3 ]

* 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 [ 885518-92-3 ]

[ 885518-92-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1776-37-0 ]
  • [ 885518-92-3 ]
YieldReaction ConditionsOperation in experiment
93% With iodine; potassium hydroxide; In N,N-dimethyl-formamide; at 20℃; for 3h; General procedure: 3-Iodoindazoles were obtained by direct iodination of commercial indazoles by the method previously described by Bocchi [28] with slight modifications. A solution of 1H-indazole (3 g, 25.4 mmol), iodine (12.7 g, 50.03 mmol) and potassium hydroxide (5.34 g, 95.25 mmol)in DMF (7 mL) was stirred for 3 h at room temperature. The reaction was quenched by dilution with saturated solution of sodium bisulfite (150 mL) and a precipitated was formed. The precipitated was filtered over vacuum and washed with water (3 × 30 mL). The solid was left to dry at 30 °C in a vacuum oven overnight obtaining 6.17 g of a pale yellow solid. Yield: 100percent; m.p.: 136?138 °C (lit.:[36] 134?136 °C); IR (KBr) nu (cm?1): 3086 (NH); 424 (C-I). 1H-NMR delta (ppm): 13.50 (1H, s, H-1); 7.55(1H, d, J = 8.6 Hz, H-7); 7.45?7.40 (2H, m, H-6 and H-4); 7.19 (1H, dd, J = 7.5 Hz, H-5). 13C-NMR delta(ppm): 140.41; 127.22; 126.79; 121.23; 120.39; 110.51; 93.49; HRMS calculated for C7H5IN2: 243.9497,Found: 243.9499.3-Iodo-1H-indazole (1a). 3-Iodoindazoles were obtained by direct iodination of commercial indazoles by the method previously described by Bocchi [28] with slight modifications. A solution of 1H-indazole(3 g, 25.4 mmol), iodine (12.7 g, 50.03 mmol) and potassium hydroxide (5.34 g, 95.25 mmol) in DMF(7 mL) was stirred for 3 h at room temperature. The reaction was quenched by dilution with saturated solution of sodium bisulfite (150 mL) and a precipitated was formed. The precipitated was filtered over vacuum and washed with water (3 30 mL). The solid was left to dry at 30 °C in a vacuum oven overnight obtaining 6.17 g of a pale yellow solid. Yield: 100percent; m.p.: 136?138 °C (lit.: [36] 134?136 °C)
 

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