Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 1092482생성일: 2026년 10월 27일
(S)-2-Phenylbutyric acid → (2S)-N-[(3aR,4S,6aS)-2-benzyloctahydrocyclopenta[c]pyrrol-4-yl]-2-(4-isobutylphenyl)propanamide
https://huagongshe.com/reaction/1092482
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | (S)-2-Phenylbutyric acid | HCID 785329 | — |
| 반응물 | (3aS,4R,6aR)-2-benzyloctahydrocyclopenta[c]pyrrol-4-amine | HCID 25918977 | — |
| 생성물 | (2S)-N-[(3aR,4S,6aS)-2-benzyloctahydrocyclopenta[c]pyrrol-4-yl]-2-(4-isobutylphenyl)propanamide | HCID 46213434 | — |
반응 단계
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 substituting (S)-2-(4-isobutylphenyl)propanoic acid for (S)-2-phenylbutanoic acid in Step F of the procedure used to prepare Example 16: 1H NMR (400 MHz, CDCl3) δ ppm 7.28 (d, J=4.4, 3H), 7.25-7.18 (m, 1H), 7.15 (dd, J=2.3, 8.2, 2H), 7.09 (dd, J=1.8, 8.2, 2H), 5.17 (d, J=7.2, 1H), 4.03-3.89 (m, 1H), 3.58 (d, J=13.0, 1H), 3.51-3.41 (m, 2H), 2.55-2.48 (m, 3H), 2.45 (d, J=7.2, 2H), 2.39 (dd, J=7.3, 9.0, 1H), 2.27-2.20 (m, 1H), 2.19-2.06 (m, 1H), 2.05-1.91 (m, 1H), 1.85 (dt, J=6.8, 13.5, 1H), 1.72-1.61 (m, 2H), 1.48 (d, J=7.2, 3H), 1.44-1.28 (m, 2H), 0.89 (d, J=6.6, 6H); MS (ESI+) m/z 405 (M+H)+.
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 특허 번호 | US08129417B2 |
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| 출처 데이터셋 | uspto-grants-2012_03 |
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| ORD ID | ord-c62a052fe1554e109dea8be9d49f3f19 |
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| 출처 메모 | uspto-grants-2012_03 |
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