HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2192527Generated: November 3, 2026
4-(Trifluoromethoxy)benzoic acid → HCID 44476577, compound
https://huagongshe.com/reaction/2192527
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | 4-(Trifluoromethoxy)benzoic acid | HCID 67613 | — |
| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) | HCID 9886157 | — |
| Reactant | HCID 178513273 | HCID 178513273 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | HCID 44476577 | HCID 44476577 | 46% |
Reaction Steps
4-[(Trifluoromethyl)oxy]benzoic acid (Aldrich; 132 mg, 0.642 mmol) was stirred in DMF (1 ml) with HATU (244 mg, 0.642 mmol) and DIPEA (0.28 ml, 1.605 mmol) at room temperature for 30 mins before adding a solution of N-hydroxy-5-isoquinolinecarboximidamide (D1, 100 mg, 0.535 mmol) in DMF (1 ml). The resulting mixture was heated to 120° C. for 30 mins in a Biotage Initiator microwave. The solvent was removed under vacuum and the residue was purified by column chromatography on silica, eluting with 0-80% ethyl acetate in cyclohexane. The relevant fractions were combined and concentrated under vacuum to give the title compound as a white solid (88 mg).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08329730B2 |
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| Source dataset | uspto-grants-2012_12 |
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| ORD ID | ord-e307f8fed0f4401fbc6830b9ea3028e5 |
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| Source note | uspto-grants-2012_12 |
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