Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetic Acid | HCID 176 | — |
| Reactant | 1-Methylpiperazine | HCID 53167 | — |
| Reactant | 4-Chlorophenyl isocyanide | HCID 74670 | — |
| Reactant | Methyl 4-(2-oxoethyl)benzoate | HCID 13844675 | — |
| Solvent | Methanol | HCID 887 | — |
| Solvent | 2,2,2-Trifluoroethanol | HCID 6409 | — |
| Product | HCID 57611860 | HCID 57611860 | — |
Reaction Steps
Methyl 4-formylmethylbenzoate (52.3 mg, 0.294 mmol), 4-chlorophenyl isocyanide (40.4 mg, 0.294 mmol), N-methylpiperazine (39.1 μL, 0.352 mmol) and AcOH (16.6 μL, 0.294 mmol) were dissolved in 100 μL of trifluoroethanol and heated at 50° C. for 3 hours. The reaction mixture was diluted with 2 mL of methanol and purified by reverse phase HPLC to afford the desired product. MS cal'd 416.2 (MH+), exp 416.2 (MH+).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US08168658B2 |
|---|
| Source dataset | uspto-grants-2012_05 |
|---|
| ORD ID | ord-61019d8d55cb4a5c83cdd8f1354fbb45 |
|---|
| Source note | uspto-grants-2012_05 |
|---|
