Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Iodine | HCID 807 | — |
| Reactant | Potassium Hydroxide | HCID 14797 | — |
| Reactant | methyl 1H-indazole-6-carboxylate | HCID 286535 | — |
| Reactant | Sodium Bisulfate | HCID 516919 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | HCID 178497289 | HCID 178497289 | 78.2% |
Reaction Steps
To a solution of methyl 1H-indazole-6-carboxylate (865 mg, 4.91 mmol) in N,N-dimethylformamide (12 mL) was added potassium hydroxide (840 mg, 3.05 mmol) followed by iodine (1.54 g, 5.9 mmol). The mixture was stirred at room temperature for 3 hours. Sodium bisulfate (30 mL of 5% aqueous) was added and the mixture was extracted with ethyl acetate twice. The combined organic layers were washed with brine, dried over sodium sulfate, filtered and concentrated in vacuo. The residue was purified via flash column chromatography (5-65% ethyl acetate/heptanes) to afford methyl 3-iodo-1H-indazole-6-carboxylate as a colorless solid (1.16 g, 78%). 1H NMR (400 MHz, DMSO-d6, δ): 13.84 (s, 1H), 8.13 (s, 1H), 7.72 (d, J=8.4 Hz, 1H), 7.54 (d, J=8.6 Hz, 1H), 3.87 (s, 3H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09181252B2 |
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| Source dataset | uspto-grants-2015_11 |
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| ORD ID | ord-3912053015a64445b7e17de192605635 |
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| Source note | uspto-grants-2015_11 |
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