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Chemical Structure| 1005785-69-2 Chemical Structure| 1005785-69-2

Structure of 1005785-69-2

Chemical Structure| 1005785-69-2

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Product Details of [ 1005785-69-2 ]

CAS No. :1005785-69-2
Formula : C9H9IN4O2
M.W : 332.10
SMILES Code : O=C(OCC)NC1=CN2N=C(I)C=CC2=N1
MDL No. :MFCD22666190

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Application In Synthesis of [ 1005785-69-2 ]

* 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 [ 1005785-69-2 ]

[ 1005785-69-2 ] Synthesis Path-Downstream   1~2

  • 1
  • disodium hydrogenphosphate [ No CAS ]
  • [ 6092-47-3 ]
  • [ 187973-60-0 ]
  • [ 1005785-69-2 ]
YieldReaction ConditionsOperation in experiment
81% In N,N-dimethyl acetamide; water; Reference Example 3 Production of ethyl (6-iodoimidazo[1,2-b]pyridazin-2-yl)carbamate To a solution of 3-amino-6-iodopyridazine (27.0 g, 122 mmol) in N,N-dimethylacetamide (270 mL) were added <strong>[6092-47-3]ethyl (chloroacetyl)carbamate</strong> (32.4 g, 195 mmol) and disodium hydrogenphosphate (43.4 g, 305 mmol), and the mixture was stirred at 110 C. for 3 hr. After cooling the mixture to room temperature, water (810 mL) was added, and the precipitated crystals were filtrated, and washed with acetonitrile and ether to give the title compound (33.0 g, 81%) as a dark brown powder. 1H-NMR (DMSO-d6, 300 MHz) δ 1.26 (3H, t, J=7.1 Hz), 4.17 (2H, q, J=7.1 Hz), 7.47 (1H, d, J=9.2 Hz), 7.70 (1H, d, J=9.2 Hz), 8.06 (1H, s), 10.51 (1H, brs).
  • 2
  • [ 6092-47-3 ]
  • [ 187973-60-0 ]
  • [ 1005785-69-2 ]
YieldReaction ConditionsOperation in experiment
81% With disodium hydrogenphosphate; In N,N-dimethyl acetamide; at 110℃; for 3h; To a stirred solution of 3-amino-6-iodopyridazine (5)30 (27.0 g, 122 mmol) in DMA (270 mL) were added <strong>[6092-47-3]ethyl (chloroacetyl)carbamate</strong> (32.4 g, 196 mmol) and Na2HPO4 (43.4 g, 306 mmol), and the mixture was stirred at 110 C for 3 h. After cooling to room temperature, the mixture was diluted with water (810 mL), and the precipitate was collected by filtration and washed with CH3CN followed by Et2O to give 6 (33.0 g, 81%) as a dark brown solid. 1H NMR (300 MHz, DMSO-d6) δ 1.26 (3H, t, J = 7.1 Hz), 4.17 (2H, q, J = 7.1 Hz), 7.47 (1H, d, J = 9.2 Hz), 7.70 (1H, d, J = 9.2 Hz), 8.06 (1H, s), 10.51 (1H, br s).
 

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