HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 734739Generated: October 28, 2026
Methyl acetoacetate → HCID 68829653, compound
https://huagongshe.com/reaction/734739
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Methyl acetoacetate | HCID 7757 | — |
| Reactant | 2,2-Dimethyl-1,3-dioxane-4,6-dione | HCID 16249 | — |
| Reactant | 2,3-Difluorobenzaldehyde | HCID 137664 | — |
| Reactant | Ammonium Acetate | HCID 517165 | — |
| Solvent | Acetic Acid | HCID 176 | — |
| Solvent | Water | HCID 962 | — |
| Product | HCID 68829653 | HCID 68829653 | 34% |
Reaction Steps
To a mixture of 2,3-difluorobenzaldehyde (2.23 mL, 20 mmol), 2,2-dimethyl-1,3-dioxane-4,6-dione (2.88 g, 20 mmol) and ammonium acetate (1.62 g, 21 mmol) under nitrogen was added methyl 3-oxobutanoate (2.16 mL, 20 mmol) and acetic acid (20 mL). This mixture was then heated to 110° C. for 1 h. The reaction mixture was cooled to room temperature and then poured into water (80 mL). The mixture was decanted to leave a yellow oil, which was then triturated with 5% ether/hexanes to afford the title compound (1.89 g, 34%). MS (ES+) m/e 282 [M+H]+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US07592357B2 |
|---|
| Source dataset | uspto-grants-2009_09 |
|---|
| ORD ID | ord-dbba643e120644d3a33dfff4375ee529 |
|---|
| Source note | uspto-grants-2009_09 |
|---|