HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2363664Generated: November 1, 2026
4-Fluorophenyl isocyanate → HCID 66996875, compound
https://huagongshe.com/reaction/2363664
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | 4-Fluorophenyl isocyanate | HCID 70955 | — |
| Reactant | (3aR,4S,6aS)-2-(6-(trifluoromethyl)pyridin-2-yl)octahydrocyclopenta[c]pyrrol-4-amine | HCID 66590059 | — |
| Reactant | HCID 66996732 | HCID 66996732 | — |
| Product | HCID 66996875 | HCID 66996875 | — |
Reaction Steps
The title compound was prepared by substituting 2-isocyanato-2-methylpropane for 1-fluoro-4-isocyanatobenzene and (3aR,4S,6aS)-2-(3-(trifluoromethoxy)phenyl)octahydrocyclopenta[c]pyrrol-4-amine from Example 715 Step 1 for (3aR,4S,6aS)-2-(6-(trifluoromethyl)pyridin-2-yl)octahydrocyclopenta[c]pyrrol-4-amine in the procedure described in Example 709: 1H NMR (500 MHz, pyridine-d5) δ ppm 7.24 (d, J=8.2 Hz, 1H), 6.68 (dd, J=8.1, 0.9 Hz, 1H), 6.57-6.47 (m, 2H), 6.25 (d, J=7.1 Hz, 1H), 5.89 (s, 1H), 4.26-4.18 (m, 1H), 3.49 (dd, J=9.9, 3.2 Hz, 1H), 3.27 (dd, J=9.8, 7.8 Hz, 1H), 3.12 (dd, J=9.6, 7.8 Hz, 1H), 2.94 (dd, J=9.7, 3.4 Hz, 1H), 2.68-2.56 (m, 2H), 2.06 (td, J=12.6, 6.4 Hz, 1H), 1.85 (td, J=13.2, 7.7 Hz, 1H), 1.56-1.49 (m, 1H), 1.47 (s, 9H), 1.35-1.26 (m, 1H); MS (ESI+) m/z 386 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08691865B2 |
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| Source dataset | uspto-grants-2014_04 |
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| ORD ID | ord-c09bdf38d1114bf59dc40c0fcc327b7b |
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| Source note | uspto-grants-2014_04 |
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