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Acetic Acid → Tert-butyl 1-{2-[4-(methoxycarbonyl)phenyl]ethyl}-5-oxo-d-prolinate

HRID 28767
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HRID 28767 반응식
[NH2:1][C@@H:2]([C:12]([O:14][C:15]([CH3:18])([CH3:17])[CH3:16])=[O:13])[CH2:3][CH2:4][C:5](=[O:11])OC(C)(C)C.[C:19]([C:23]1[CH:28]=[CH:27][C:26]([CH2:29][CH:30]=O)=[CH:25][CH:24]=1)([O:21][CH3:22])=[O:20].C(O)(=O)C.[BH3-]C#N.[Na+]>CO.CCOC(C)=O>[CH3:22][O:21][C:19]([C:23]1[CH:28]=[CH:27][C:26]([CH2:29][CH2:30][N:1]2[C:5](=[O:11])[CH2:4][CH2:3][C@@H:2]2[C:12]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:13])=[CH:25][CH:24]=1)=[O:20]
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참가 물질

7

반응물 4

HCID 176Acetic AcidHCID 5003444Sodium cyanoborohydrideHCID 7019734Di-tert-butyl (R)-2-aminopentanedioateHCID 13844675Methyl 4-(2-oxoethyl)benzoate

생성물 1

HCID 69250876Tert-butyl 1-{2-[4-(methoxycarbonyl)phenyl]ethyl}-5-oxo-d-prolinate수율 96.8%

시약·촉매·용매 2

HCID 887
Methanol
용매
HCID 8857Ethyl Acetate용매

실험 절차

To a solution of H-D-Glu(OtBu)-OtBu (0.5 g, 2.23 mmol) in MeOH (15 mL) were added 4-carbomethoxyphenylacetaldehyde (obtained from methyl 4-formyl benzoate as described in J. Med. Chem. 1989, 32, 1277-1283) (0.4 g, 2.23 mmol), acetic acid (0.15 mL, 2.67 mmol), and NaCNBH3 (3.3 mL, 1.0 M THF solution, 3.3 mmol). The resulting solution was stirred at RT for 3 h then was diluted with EtOAc (100 mL) and washed with water (50 mL), and brine (50 mL). The organic solution was dried over sodium sulfate and concentrated in vacuo. The crude oil was diluted with xylene and the solution refluxed for 5 h. This solution was concentrated under reduced pressure and purified by silica gel column chromatography using EtOAc/hexane as eluent to afford the title compound (0.75 g, 75%) as a white solid. Rf0.45 (EtOAc/hexane 1/1); 1H NMR (CDCl3) δ 1.47 (s, 9H), 1.95-2.05 (m, 1H), 2.10-2.20 (m, 1H), 2.25-2.35 (m, 1H), 2.40-2.50 (m, 1H), 2.80-3.00 (m, 2H), 3.10-3.20 (m, 1H), 3.82 (dd, 1H), 3.91 (s, 3H), 3.90-4.01 (m, 1H), 7.25 (d, 2H), 7.96 (d, 2H).

후처리

  1. washwashed with water (50 mL), and brine (50 mL)
  2. dry with materialThe organic solution was dried over sodium sulfate
  3. concentrationconcentrated in vacuo
  4. additionThe crude oil was diluted with xylene
  5. temperaturethe solution refluxed for 5 h
  6. concentrationThis solution was concentrated under reduced pressure
  7. custompurified by silica gel column chromatography

출처 및 근거

ORD 기록
ord-54cc5ee19bfc4621a47dbe9c3f198106
출처 데이터셋
uspto-grants-2008_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07419999B2

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