HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Chloroethylbenzoate → Methyl phenylcarbonyloxyethyl(2E)but-2-ene-1,4-dioate
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 2-Chloroethylbenzoate | HCID 95952 | — |
| Reactant | Cesium bicarbonate | HCID 2734983 | — |
| Reactant | Monomethyl Fumarate | HCID 5369209 | — |
| Solvent | N-methyl-2-pyrrolidone | HCID 13387 | — |
| Product | Methyl phenylcarbonyloxyethyl(2E)but-2-ene-1,4-dioate | HCID 46179454 | 24% |
Reaction Steps
Following general procedure A, methyl hydrogen fumarate (0.42 g, 3.3 mmol) in NMP (6 mL) was reacted with CsHCO3 (0.69 g, 3.6 mmol) and chloroethyl benzoate (0.55 g, 3.0 mmol) to afford 0.2 g (24% yield) of the title compound (43) after purification by silica gel flash column chromatography (Biotage) using a mixture of ethyl acetate (EtOAc) and hexanes (1:8) as eluent. 1H NMR (CDCl3, 400 MHz): δ 8.08-8.02 (m, 2H), 7.63-7.56 (m, 1H), 7.49-7.42 (m, 2H), 7.21 (q, J=5.2 Hz, 1H), 6.92 (d, J=16.0 Hz, 1H), 6.85 (d, J=16.0 Hz, 1H), 3.81 (s, 3H), 1.69 (d, J=5.2 Hz, 3H). MS (ESI): m/z 278.99 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08785443B2 |
| Source dataset | uspto-grants-2014_07 |
| ORD ID | ord-4c8404c350b44d65a98cc2db6daeb07d |
| Source note | uspto-grants-2014_07 |