Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Sodium Iodide | HCID 5238 | — |
| Reactant | 2-Bromo-1-(2-iodophenyl)ethanone | HCID 13805529 | — |
| Reactant | HCID 178454308 | HCID 178454308 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | HCID 57931417 | HCID 57931417 | 58% |
Reaction Steps
To a solution of 2-bromo-1-(2-iodophenyl)ethanone (2.70 g, 8.31 mmol) in anhydrous DMF (27 mL) was added Boc-guanidine (4.00 g, 24.9 mmol) and sodium iodide (2.47 g, 16.6 mmol). The reaction was stirred at ambient temperature for 72 hours upon which the mixture was partitioned between EtOAc (150 mL) and water (75 mL). The organic layer was successively washed with water (3×50 mL) and brine (2×50 mL) before being dried (Na2SO4) and evaporated to dryness. The resulting crude oil was purified via flash column chromatography (10-30% EtOAc/CH2Cl2) to obtain the target 2-amino-5-(2-iodophenyl)imidazole-1-carboxylic acid tert-butyl ester (1.84 g, 58%) as a tan foam: mp=121° C. (dec.); 1H NMR (400 MHz, DMSO-d6) δ 7.92 (m, 1H), 7.27 (dd, 1H, J=1.6, 8.0 Hz), 7.49 (s, 1H), 7.41 (m, 1H), 7.00 (m, 1H), 6.59 (br s, 2H), 1.57 (s, 9H); 13C NMR (100 MHz, DMSO-d6) δ 149.6, 148.8, 140.3, 137.4, 130.1, 128.8, 128.1, 108.6, 95.7, 85.0, 27.5; HRMS (ESI) calcd for C14H17IN3O2 (MH+) 386.0360. found 386.0359.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09005643B2 |
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| Source dataset | uspto-grants-2015_04 |
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| ORD ID | ord-4414ce5f33fd46ad8a4df1bcdfa0c81f |
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| Source note | uspto-grants-2015_04 |
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