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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2363484Generated: October 31, 2026

3-(Trifluoromethyl)benzaldehyde → HCID 54673857, compound

https://huagongshe.com/reaction/2363484

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 54673857HCID 54673857—

Reaction Steps

The title compound was prepared by substituting 4-(trifluoromethyl)benzaldehyde 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 8.62 (t, J=7.8, 1H), 7.64 (dd, J=7.0, 11.8, 4H), 7.51 (d, J=8.0, 1H), 7.46 (d, J=7.9, 1H), 7.33 (dd, J=7.4, 12.1, 2H), 7.29-7.24 (m, 1H), 4.40-4.30 (m, 1H), 3.58 (d, J=13.7, 0.5H), 3.48 (t, J=13.8, 1H), 3.35 (d, J=13.7, 0.5H), 3.23 (dd, J=1.4, 10.4, 1H), 2.92 (dd, J=2.7, 9.0, 0.5H), 2.69-2.60 (m, 1H), 2.57 (dd, J=2.7, 9.1, 1H), 2.54-2.47 (m, 0.5H), 2.47-2.39 (m, 1H), 2.39-2.32 (m, 0.5H), 2.31-2.20 (m, 2H), 2.19-2.11 (m, 1H), 1.95-1.82 (m, J=6.4, 37.0, 1H), 1.77 (dt, J=6.4, 13.8, 0.5H), 1.69 (dt, J=6.9, 19.1, 0.5H), 1.50-1.25 (m, J=34.6, 62.0, 1.5H), 1.21 (t, J=6.4, 3H), 0.70 (d, J=5.1, 3H); MS (ESI+) m/z 445 (M+H)+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08691865B2
Source datasetuspto-grants-2014_04
ORD IDord-fe7397f6b9014af58ee5bb9ee783d779
Source noteuspto-grants-2014_04