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(S)-2-benzyl 1-tert-butyl 4-oxopyrrolidine-1,2-dicarboxylate → (S)-2-benzyl 1-tert-butyl 4-ethylidenepyrrolidine-1,2-dicarboxylate

HRID 2063709
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HRID 2063709 반응식
[C:1]([O:5][C:6]([N:8]1[CH2:12][C@@H:11]([CH2:13][CH3:14])[CH2:10][C@H:9]1[C:15]([OH:17])=[O:16])=[O:7])([CH3:4])([CH3:3])[CH3:2].CC([O-])(C)C.[K+].O=C1CN(C(OC(C)(C)C)=O)[C@H](C(O[CH2:40][C:41]2[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=2)=O)C1>[Br-].C([P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)C.C1COCC1>[CH:13](=[C:11]1[CH2:12][N:8]([C:6]([O:5][C:1]([CH3:2])([CH3:3])[CH3:4])=[O:7])[C@H:9]([C:15]([O:17][CH2:40][C:41]2[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=2)=[O:16])[CH2:10]1)[CH3:14]
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참가 물질

6

반응물 3

HCID 10958148(S)-2-benzyl 1-tert-butyl 4-oxopyrrolidine-1,2-dicarboxylateHCID 23665647Potassium tert-butoxideHCID 67085685(2S,4S)-1-(Tert-butoxycarbonyl)-4-ethylpyrrolidine-2-carboxylic acid

생성물 1

HCID 67086037(S)-2-benzyl 1-tert-butyl 4-ethylidenepyrrolidine-1,2-dicarboxylate

시약·촉매·용매 2

HCID 73727
Phosphonium, ethyltriphenyl-, bromide (1:1)
촉매
HCID 8028Tetrahydrofuran용매2회

실험 절차

(2S,4S)-1-(tert-butoxycarbonyl)-4-ethylpyrrolidine-2-carboxylic acid: To a mixture of KOtBu (0.176 g, 1.57 mmol) and (ethyl)triphenylphosphonium bromide (0.581 g, 1.57 mmol) was added THF (3.1 mL) at rt. The mixture was stirred for 1 h. Next, a solution of (S)-2-benzyl 1-tert-butyl 4-oxopyrrolidine-1,2-dicarboxylate (0.200 g, 0.581 mmol) dissolved in THF (1 mL) was added via cannula and the flask was rinsed with THF (0.5 mL). The reaction was stirred overnight at rt. The reaction was quenched with water and diluted with EtOAc. The layers were separated and the organic layer was washed with brine, dried (MgSO4), and concentrated. The crude product was purified by silica gel chromatography to provide (S)-2-benzyl 1-tert-butyl 4-ethylidenepyrrolidine-1,2-dicarboxylate as a colorless oil as a mixture of E/Z isomers. The E/Z mixture was used directly in the next reaction. (S)-2-benzyl 1-tert-butyl 4-ethylidenepyrrolidine-1,2-dicarboxylate (0.0866 g, 0.261 mmol) was dissolved in EtOH (5.2 mL) and 10% Pd/C (0.092 g, 0.086 mmol) was added. The reaction was purged with argon and then H2 and stirred overnight under a H2 balloon. The reaction was filtered and concentrated. The crude product was purified by silica gel chromatography to provide 57A (colorless oil, 0.0358 g, 0.147 mmol, 23.5% yield). LC-MS Anal. Calc'd for C12H21NO4 243.30. found [M+H] 244.0. 1H NMR (400 MHz, chloroform-d) δ ppm 4.13-4.34 (1 H, m), 3.63-3.83 (1 H, m), 2.91-3.04 (1 H, m), 2.31-2.51 (1 H, m), 1.99-2.12 (1 H, m, J=14.31, 10.18, 7.15, 7.15 Hz), 1.54-1.82 (1 H, m), 1.33-1.51 (11 H, m), 0.91 (3 H, t, J=7.02 Hz).

후처리

  1. additionwas added via cannula
  2. washthe flask was rinsed with THF (0.5 mL)
  3. stirringThe reaction was stirred overnight at rt
  4. customThe reaction was quenched with water
  5. additiondiluted with EtOAc
  6. customThe layers were separated
  7. washthe organic layer was washed with brine
  8. dry with materialdried (MgSO4)
  9. concentrationconcentrated
  10. customThe crude product was purified by silica gel chromatography

출처 및 근거

ORD 기록
ord-384b69aa1e2c4a9f8c3334194bec68bb
출처 데이터셋
uspto-grants-2012_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08288404B2

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