HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 587704Generated: October 29, 2026
HCID 86675176, compound → HCID 86675175, compound
https://huagongshe.com/reaction/587704
Participants
| Role | Name | HCID | Charge |
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| Reactant | HCID 86675176 | HCID 86675176 | — |
| Solvent | Acetic Acid | HCID 176 | — |
| Solvent | Hydrochloric Acid | HCID 313 | — |
| Product | HCID 86675175 | HCID 86675175 | 90.2% |
Reaction Steps
A solution of (E)-ethyl-2-(6-(3-(3,5-dichloro-4-fluorophenyl)-4,4,4-trifluorobut-1-enyl)-1-oxophthalazin-2(1H)-yl)acetate (0.04 g, 0.07 mmol) in HCl (0.5 mL) and AcOH (0.5 mL) was heated to 100° C. for 3 h. The solvent was removed under reduced pressure and the residue diluted with water. The aqueous layer was extracted with EtOAc and the separated EtOAc layer dried over anhydrous Na2SO4 and concentrated under reduced pressure to afford the crude compound. The crude compound was triturated with Et2O-pentane mixture to afford the title compound as a brown solid (0.03 g): 1H NMR (400 MHz, DMSO-d6) δ 13.0 (br s, 1H), 8.43 (m, 1H), 8.23 (d, J=8.1 Hz, 1H), 8.14 (m, 2H), 7.91 (m, 2H), 7.16 (dd, J=16.0, 8.0 Hz, 1H), 6.99 (d, J=16.0 Hz, 1H), 4.96 (m, 3H),; ESIMS m/z 473.0 ([M−H]−); IR (thin film) 1629, 1168, 817 cm−1.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09226501B2 |
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| Source dataset | uspto-grants-2016_01 |
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| ORD ID | ord-5a670693564b4f38809204f1adf4cfa8 |
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| Source note | uspto-grants-2016_01 |
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