HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2363605Generated: November 2, 2026
1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)- → HCID 131729485, compound
https://huagongshe.com/reaction/2363605
Participants
| Role | Name | HCID | Charge |
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| Reactant | 1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)- | HCID 85083 | — |
| Reactant | (3aS,4R,6aR)-2-(3-(Trifluoromethyl)phenylsulfonyl)octahydrocyclopenta[c]pyrrol-4-amine | HCID 66590613 | — |
| Reactant | HCID 66590926 | HCID 66590926 | — |
| Product | HCID 131729485 | HCID 131729485 | — |
Reaction Steps
tert-Butyl(S)-3-cyclohexyl-1-oxo-1-((3aR,4S,6aS)-2-(4-(trifluoromethyl)phenylsulfonyl)octahydrocyclopenta[c]pyrrol-4-ylamino)propan-2-ylcarbamate was prepared by substituting (S)-2-(tert-butoxycarbonylamino)-3-cyclohexylpropanoic acid for (S)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid and (3aR,4S,6aS)-2-(4-(trifluoromethyl)phenylsulfonyl)octahydrocyclopenta[c]pyrrol-4-amine from Example 256 Step A for (3aS,4R,6aR)-2-(3-(trifluoromethyl)phenylsulfonyl)octahydrocyclopenta[c]pyrrol-4-amine in the procedure described in Example 266: 1H NMR (500 MHz, pyridine-d5) δ ppm 8.76 (s, 1H), 8.13 (d, J=8.1, 2H), 8.01 (d, J=8.3, 1H), 7.90 (d, J=8.3, 2H), 4.74-4.65 (m, 1H), 4.31-4.19 (m, 1H), 3.85-3.78 (m, 1H), 3.21-3.10 (m, 2H), 3.01-2.93 (m, 1H), 2.64-2.51 (m, 2H), 1.96-1.74 (m, 6H), 1.69-1.60 (m, 1H), 1.60-1.45 (m, 13H), 1.32-1.18 (m, 1H), 1.16-0.96 (m, 3H), 0.94-0.81 (m, 1H), 0.79-0.67 (m, 1H); MS (ESI+) m/z 605 (M+NH4)+.
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-a672eccf1c044e50bb72b28a20956414 |
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| Source note | uspto-grants-2014_04 |
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