HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 705705Generated: October 29, 2026
Triethylamine → 3-Chloro-2-(7-chloro-1,3-benzodioxol-5-yl)-4,4,4-trifluoro-but-2-enenitrile
https://huagongshe.com/reaction/705705
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | Phosphorus oxychloride | HCID 24813 | — |
| Reactant | 2-(7-Chloro-1,3-benzodioxol-5-yl)-4,4,4-trifluoro-3-oxo-butanenitrile | HCID 90010066 | — |
| Solvent | Water | HCID 962 | — |
| Product | 3-Chloro-2-(7-chloro-1,3-benzodioxol-5-yl)-4,4,4-trifluoro-but-2-enenitrile | HCID 131733695 | 80% |
Reaction Steps
2-(7-chloro-1,3-benzodioxol-5-yl)-4,4,4-trifluoro-3-oxo-butanenitrile (23.9 g, 82 mmol) was treated with POCl3 (62.0 g, 0.41 mol) and then triethylamine (11.4 mL, 82 mmol) was added. The reaction mixture was heated for 3 h at 80-100° C. and then carefully poured into warm water. The product was then extracted ethyl acetate, washed with water and brine, dried, filtered and concentrated to give the title compound (20.2 g; 80%) and used for the next step directly.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US09174967B2 |
|---|
| Source dataset | uspto-grants-2015_11 |
|---|
| ORD ID | ord-590bf6263931476899f6d0f8873d9761 |
|---|
| Source note | uspto-grants-2015_11 |
|---|