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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2363467Generated: October 31, 2026

(S)-2-Phenylbutyric acid → HCID 46213052, compound

https://huagongshe.com/reaction/2363467

Reaction equation

Participants

RoleNameHCIDCharge
Reactant(S)-2-Phenylbutyric acidHCID 785329—
ReactantBenzeneacetic acid, α-(1,1-dimethylethyl)-HCID 11665557—
Reactant(3aS,4R,6aR)-2-benzyloctahydrocyclopenta[c]pyrrol-4-amineHCID 25918977—
ProductHCID 46213052HCID 46213052—

Reaction Steps

The title compound was prepared by substituting (3aR,4S,6aS)-2-benzyloctahydrocyclopenta[c]pyrrol-4-amine from Step A of Example 33 for (3aS,4R,6aR)-2-benzyloctahydrocyclopenta[c]pyrrol-4-amine and 3,3-dimethyl-2-phenylbutanoic acid for (S)-2-phenylbutanoic acid in Step F of the procedure used to prepare Example 16: 1H NMR (500 MHz, pyridine-d5) δ ppm 8.53 (dd, J=7.4, 10.9, 1H), 7.73 (dd, J=3.3, 5.3, 2H), 7.44 (d, J=7.0, 1H), 7.41-7.24 (m, 7H), 4.41-4.30 (m, 1H), 3.62 (d, J=13.1, 0.5H), 3.53 (d, J=13.1, 0.5H), 3.45 (d, J=15.0, 0.5H), 3.35 (d, J=13.1, 0.5H), 2.90 (dd, J=3.1, 8.9, 0.5H), 2.63-2.45 (m, 2.5H), 2.44-2.36 (m, 0.5H), 2.31 (d, J=6.5, 1H), 2.28 (d, J=5.3, 1H), 2.23 (d, J=5.8, 1H), 2.15 (dd, J=5.9, 12.3, 0.5H), 1.92 (dd, J=6.1, 12.2, 0.5H), 1.84 (dd, J=8.1, 12.6, 0.5H), 1.72 (ddd, J=6.5, 12.5, 18.9, 1H), 1.46-1.25 (m, 2H), 1.14 (d, J=1.8, 9H); MS (ESI+) m/z 391 (M+H)+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08691865B2
Source datasetuspto-grants-2014_04
ORD IDord-44e396c7e7d54748aee8d9a278bf3376
Source noteuspto-grants-2014_04