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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2363486Generated: October 30, 2026

3-(Trifluoromethyl)benzaldehyde → HCID 46213112, compound

https://huagongshe.com/reaction/2363486

Reaction equation

Participants

RoleNameHCIDCharge
Reactant3-(Trifluoromethyl)benzaldehydeHCID 67990—
Reactant2,2-Dicyclohexyl-N-((3aS,4S,6aR)-octahydrocyclopenta[c]pyrrol-4-yl)acetamideHCID 46213053—
Reactant3-Methyl-N-[(3aR,4S,6aS)-octahydrocyclopenta[c]pyrrol-4-yl]-2-phenylbutanamideHCID 66590685—
ProductHCID 46213112HCID 46213112—

Reaction Steps

The title compound was prepared by substituting isonicotinaldehyde for 3-(trifluoromethyl)benzaldehyde and 3-methyl-N-[(3aR,4S,6aS)-octahydrocyclopenta[c]pyrrol-4-yl]-2-phenylbutanamide from Example 83 Step A for 2,2-dicyclohexyl-N-[(3aS,4S,6aR)-octahydrocyclopenta[c]pyrrol-4-yl]acetamide in the procedure described for Example 54: 1H NMR (500 MHz, pyridine-d5) δ ppm 8.70 (d, J=5.9, 2H), 8.62 (s, 1H), 7.64 (dd, J=3.0, 7.5, 2H), 7.36-7.30 (m, 2H), 7.25 (dd, J=7.0, 12.4, 3H), 4.39-4.30 (m, 1H), 3.51 (d, J=14.2, 0.5H), 3.41 (dd, J=11.5, 14.2, 1H), 3.28 (d, J=14.3, 0.5H), 3.23 (dd, J=1.8, 10.5, 1H), 2.94 (dd, J=2.6, 9.2, 0.5H), 2.69-2.60 (m, 1H), 2.57 (dd, J=2.9, 9.2, 1H), 2.52-2.46 (m, 0.5H), 2.42 (dd, J=7.2, 8.8, 1H), 2.38-2.31 (m, 0.5H), 2.28 (dd, J=2.7, 9.0, 0.5H), 2.24-2.18 (m, 1H), 2.17-2.11 (m, 1H), 1.95-1.82 (m, 1H), 1.77 (dt, J=5.8, 12.3, 0.5H), 1.73-1.64 (m, 0.5H), 1.49-1.25 (m, 2H), 1.23-1.17 (m, 3H), 0.70 (d, J=6.5, 3H); MS (ESI+) m/z 378 (M+H)+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08691865B2
Source datasetuspto-grants-2014_04
ORD IDord-3797c06b729e4d7dbd53d806b5ca679b
Source noteuspto-grants-2014_04