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Dichloromethane → Benzyl trans-3-[(tert-butoxycarbonyl)amino]-2-methylpiperidine-1-carboxylate

HRID 1050558
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HRID 1050558 반응식
[CH3:1][C@@H:2]1[CH:7]([NH:8][C:9](=[O:15])[O:10][C:11]([CH3:14])([CH3:13])[CH3:12])[CH2:6][CH2:5][CH2:4][NH:3]1.C(Cl)Cl.CCN(C(C)C)C(C)C.Cl[C:29]([O:31][CH2:32][C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)=[O:30]>O>[C:11]([O:10][C:9]([NH:8][C@@H:7]1[CH2:6][CH2:5][CH2:4][N:3]([C:29]([O:31][CH2:32][C:33]2[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=2)=[O:30])[C@@H:2]1[CH3:1])=[O:15])([CH3:14])([CH3:13])[CH3:12].[C:11]([O:10][C:9]([NH:8][C@@H:7]1[CH2:6][CH2:5][CH2:4][N:3]([C:29]([O:31][CH2:32][C:33]2[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=2)=[O:30])[C@H:2]1[CH3:1])=[O:15])([CH3:14])([CH3:13])[CH3:12]
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참가 물질

7

반응물 4

HCID 6344DichloromethaneHCID 10387Benzyl chloroformateHCID 81531DiisopropylethylamineHCID 118114667(R)-tert-butyl 2-methylpiperidin-3-ylcarbamate

생성물 2

HCID 59223903(2R,3R)-benzyl 3-(tert-butoxycarbonylamino)-2-methylpiperidine-1-carboxylate수율 19%
HCID 59224206
Benzyl trans-3-[(tert-butoxycarbonyl)amino]-2-methylpiperidine-1-carboxylate
수율 61%

시약·촉매·용매 1

HCID 962Water용매

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온도
0 °C

실험 절차

(R)-tert-Butyl 2-methylpiperidin-3-ylcarbamate (307) (8.2 g, 38 mmol) was suspended in a solution of DCM (500 mL) and DIEA (13.4 mL, 76.9 mmol). Benzyl chloroformate (6.6 mL, 46 mmol) was then added drop-wise over 5 minutes and the reaction was stirred at 0° C. for 30 minutes. Water was then added and the mixture was allowed to come to room temperature and stirred for 30 minutes. The organic phase was separated, washed with 1M HCl (aq), saturated NaHCO3 (aq), and brine. On TLC, the trans-isomer (309) displayed a higher silica Rf value than the cis isomer (308). The two diastereomers were separated by silica flash column chromatography (EtOAc/hexanes). The mixed fractions from the first purification were combined and subjected to a second purification. After two purifications, (2R,3R)-benzyl 3-(tert-butoxycarbonylamino)-2-methylpiperidine-1-carboxylate (308) (2.5 g, 7.2 mmol, 19% yield) and (2S,3R)-benzyl 3-(tert-butoxycarbonylamino)-2-methylpiperidine-1-carboxylate (309) (8 g, 23 mmol, 61% yield) were obtained.

후처리

  1. customto come to room temperature
  2. stirringstirred for 30 minutes
  3. customThe organic phase was separated
  4. washwashed with 1M HCl (aq), saturated NaHCO3 (aq), and brine
  5. customThe two diastereomers were separated by silica flash column chromatography (EtOAc/hexanes)
  6. customThe mixed fractions from the first purification
  7. customsubjected to a second purification

출처 및 근거

ORD 기록
ord-c3f56fb6c9604cdd94323fc08010d1d5
출처 데이터셋
uspto-grants-2016_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09382246B2

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