Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | 4-Cyanobenzaldehyde | HCID 66042 | — |
| Reactant | Allyl acetoacetate | HCID 70701 | — |
| Reactant | HCID 178418311 | HCID 178418311 | — |
| Solvent | Isopropanol | HCID 3776 | — |
| Product | HCID 136409062 | HCID 136409062 | — |
Reaction Steps
3-amino-1,2,4-triazole (1.28 mg, 15.24 mmol) and triethylamine (2.2 ml, 15.25 mmol) were heated in IPA (30 ml) at 90° C. until most of the solid had dissolved. 4-Cyanobenzaldehyde (2.0 g, 15.27 mmol) and allyl acetoacetate (2.17 g, 15.28 mmol) were added and the reaction was heated at 90° C. overnight. The volatiles were evaporated and the residue was partitioned between ethyl acetate and water. Some solid material was filtered off and the ethyl acetate layer was separated, washed with brine, dried (Na2SO4) and the volume reduced. The solid which precipitated was filtered, washed with ethyl acetate and combined with the solid obtained earlier. The pale yellow product was dried in vacuo at 40° C.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09156844B2 |
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| Source dataset | uspto-grants-2015_10 |
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| ORD ID | ord-b5d0aae1f6004d3f859af4b34afb7ba2 |
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| Source note | uspto-grants-2015_10 |
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