HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1486994Generated: November 3, 2026
Trifluoroacetic acid → HCID 89401945, compound
https://huagongshe.com/reaction/1486994
Participants
| Role | Name | HCID | Charge |
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| Reactant | Trifluoroacetic acid | HCID 6422 | — |
| Reactant | HCID 89401985 | HCID 89401985 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | HCID 89401945 | HCID 89401945 | 95.23% |
Reaction Steps
(Z)-tert-butyl 6-(3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acryloyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate (0.13 g) was dissolved in DCM (1.5 mL). The reaction mixture was cooled to 0° C. and CF3COOH (1.5 mL) was added. The reaction mixture was allowed to warm to room temp. where it was stirred for 4 h. The reaction mixture was concentrated under reduced pressure (35° C., 20 mmHg) to afford 0.100 g of (Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-1-(2,6-diazaspiro[3.3]heptan-2-yl)prop-2-en-1-one 2,2,2-trifluoroacetate (Yield 95.23%). 1H NMR (400 MHz, DMSO) δ 9.49 (s, 1H), 8.52-8.5 (m, 3H), 8.32 (s, 1H), 7.44-7.42 (d, 1H, J=10.4 Hz), 5.97-5.94 (d, J=10.4 Hz, 1H), 4.37-3.93 (m, 8H); LCMS calcd for C18H16F6N5O [M+H]+ 432.34. found 432.29 at retention time 2.256 min.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09428490B2 |
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| Source dataset | uspto-grants-2016_08 |
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| ORD ID | ord-0c785a3843d64806ac620fb6d325a1ca |
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| Source note | uspto-grants-2016_08 |
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