HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 468800Generated: October 25, 2026
Bromodifluoromethyl diethylphosphonate → N-(7-(Difluoromethoxy)isoquinolin-3-yl)cyclopropanecarboxamide
https://huagongshe.com/reaction/468800
Participants
| Role | Name | HCID | Charge |
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| Reactant | Bromodifluoromethyl diethylphosphonate | HCID 144101 | — |
| Reactant | N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide | HCID 67975011 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Solvent | Acetonitrile--water (1/1) | HCID 18373917 | — |
| Product | N-(7-(Difluoromethoxy)isoquinolin-3-yl)cyclopropanecarboxamide | HCID 67976733 | 38.5% |
Reaction Steps
A solution of N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide (91.2 mg, 0.40 mmol), diethyl bromodifluoromethylphosphonate (212 mg, 0.80 mmol) in acetonitrile/water (1:1, 5 mL) was mixed and stirred at −78° C. After the reaction mixture was warmed to room temperature and stirred for 20 minutes, the reaction mixture was diluted with ethyl acetate, and the organic phase was separated. The water phase was extracted with ethyl acetate, and the combined organic layer was dried, concentrated and purified by prep-HPLC to give product (42.8 mg, 26%). LCMS (ESI): RT (min)=0.994, M+H+=279.0, method=A. 1H NMR (400 MHz, DMSO-d6) δ 8.92 (s, 1H), 8.54 (s, 1H), 8.37 (s, 1H), 7.79 (d, J=8.8 Hz, 1H), 7.54 (s, 1H), 7.43 (dd, J=2.4, 8.8 Hz, 1H), 6.61 (t, J=73.2 Hz, 1H), 1.71-1.57 (m, 1H), 1.15-1.11 (m, 2H), 0.95-0.89 (m, 2H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08623889B2 |
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| Source dataset | uspto-grants-2014_01 |
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| ORD ID | ord-aef7cf60683146efa12c723ea2853134 |
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| Source note | uspto-grants-2014_01 |
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