Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Methyl isothiocyanate | HCID 11167 | — |
| Reactant | HCID 59240015 | HCID 59240015 | — |
| Solvent | Potassium Carbonate | HCID 11430 | — |
| Product | HCID 44176497 | HCID 44176497 | 11.3% |
Reaction Steps
To a suspension of 1-(3′-(methylsulfonyl)biphenyl-4-yl)-2-(2-(trifluoromethyl)-phenyl)-1H-imidazole-4-carbohydrazide (215 mg, 0.430 mmol) in 8 mL 10% K2CO3 solution was added methyl isothiocyanate (0.06 mL, 0.877 mmol) via syringe. The reaction was refluxed 12 h and cooled to room temperature. The reaction was neutralized at 0° C. with 1M HCl and then extracted 3×10 mL with ethyl acetate. The combined organic layers were dried with MgSO4 and the solvent removed in vacuo. The crude residue was absorbed onto silica and purified by column chromatography using hexanes:ethyl acetate as eluents to afford 4-methyl-3-(1-(3′-(methylsulfonyl)biphenyl-4-yl)-2-(2-(trifluoromethyl)phenyl)-1H-imidazol-4-yl)-1H-1,2,4-triazole-5(4H)-thione (27 mgs, II %) as a white solid. 1H-NMR (DMSO, 400 MHz) δ 13.89 (s, 1H), 8.37 (s, 1H), 8.15-8.14 (m, 1H), 8.05-8.02 (m, 1H), 7.93-7.89 (m, 2H), 7.85 (d, J=8.58 Hz, 2H), 7.75-7.73 (m, 1H), 7.72-7.68 (m, 2H), 7.62-7.59, (m, 1H), 7.41 (d, J=8.58 Hz, 2H), 3.78 (s, 3H), 3.28 (s, 3H); MS (ES): 556.0 [M+H]+ and 578.3 [M+Na]+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07998995B2 |
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| Source dataset | uspto-grants-2011_08 |
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| ORD ID | ord-71c1a063537c4018be1bda14f0bc240c |
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| Source note | uspto-grants-2011_08 |
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