Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | P,P-Diphenylphosphinic azide | HCID 199401 | — |
| Reactant | Potassium Permanganate | HCID 516875 | — |
| Reactant | Diaminomaleonitrile | HCID 2723951 | — |
| Reactant | HCID 178511349 | HCID 178511349 | — |
| Reactant | HCID 178525779 | HCID 178525779 | — |
| Solvent | Toluene | HCID 1140 | — |
| Solvent | Acetonitrile | HCID 6342 | — |
| Product | HCID 178513788 | HCID 178513788 | 37% |
Reaction Steps
1-((Z)-2-Amino-1,2-dicyanovinyl)-3-(trans-4-hydroxycyclohexyl)urea. cis-4-Hydroxycyclohexane carboxylic acid (2.0 g, 13.87 mmol), triethylamine (1.40 g, 13.87 mmol) and diphenylphosphorylazide (3.81 g, 13.87 mmol) were combined in toluene and stirred at room temperature. The reaction was monitored via thin layer chromatography (50% ethyl acetate in hexanes, KMnO4 stain). After 30 min the solution was condensed under reduced pressure and the oil diluted with acetonitrile (30 mL) followed by the addition of diaminomaleonitrile (1.57 g, 14.56 mmol). The solution was heated to 65° C. for 16 h. The solution was condensed under reduced pressure and partitioned between water and ethyl acetate (3×), organics combined, dried over magnesium sulfate, filtered and solvent removed to afford the crude product. The crude oil was purified using Biotage silica gel chromatography (70-100% ethyl acetate in hexanes followed by 10% methanol in ethyl acetate) to afford the title compound (1.90 g, 37%). MS (ESI) m/z 250.1 [M+1]+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08383634B2 |
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| Source dataset | uspto-grants-2013_02 |
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| ORD ID | ord-22d80733645b44dd91dcae469561285b |
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| Source note | uspto-grants-2013_02 |
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