Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Potassium Iodide | HCID 4875 | — |
| Reactant | Potassium Phosphate, Dibasic | HCID 24450 | — |
| Reactant | HCID 58654398 | HCID 58654398 | — |
| Reactant | HCID 86605234 | HCID 86605234 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Product | HCID 11711303 | HCID 11711303 | 4.9% |
Reaction Steps
A solution of benzo[1,3]dioxol-5-ylmethyl-(2-chloro-ethyl)-methyl-ammonium hydrochloride (130 mg, 492 μmol), 3-imidazol-1-yl-5-pyrrolidin-2-yl-[1,2,4]thiadiazole (110 mg, 497 μmol), potassium iodide (20 mg, 120 μmol), and TEA (200 μL, 1.44 mmol) in DMF (1.8 mL) was heated at 140 C for 7 min. The reaction mixture was cooled to r.t. and poured into 10 mL of 1N K2HPO4(aq)/EtOAc (1:1). The organic layer was isolated and concentrated to crude residue. Purification was achieved using reverse phase HPLC (5% to 100% Acetonitrile/H2O, 0.1% TFA) to afford 10 mg (4%) of benzo[1,3]dioxol-5-ylmethyl-{2-[2-(3-imidazol-1-yl-[1,2,4]thiadiazol-5-yl)-pyrrolidin-1-yl]-ethyl}-methyl-amine as the TFA salt. [M+H]+ 412.85; 1H NMR (400 MHz, CDCl3) δ 9.23 (s, 1H), 7.95 (s, 1H), 7.46 (s, 1H), 6.88 (s, 1H), 6.81 (m, 2H), 6.01 (s, 2H), 4.24 (m, 1H), 4.15 (m, 2H), 3.0-3.4 (m, 5H), 2.72 (s, 3H), 2.58 (m, 1H), 2.40 (m, 1H), 1.98 (m, 2H), 1.90 (m, 1H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07825256B2 |
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| Source dataset | uspto-grants-2010_11 |
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| ORD ID | ord-869fbebca0dd42b7aaf0f18ac6ee1ff8 |
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| Source note | uspto-grants-2010_11 |
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