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Pyridine → HCID 117873136, 화합물

HRID 1477160
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HRID 1477160 반응식
[C:1]([O:5][C:6]([NH:8][C@@H:9]([C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1)[C:10]([OH:12])=O)=[O:7])([CH3:4])([CH3:3])[CH3:2].N1C=CC=CC=1.N1C(F)=NC(F)=NC=1F.[NH:34]1[C:42]2[C:37](=[CH:38][CH:39]=[CH:40][CH:41]=2)[CH2:36][C@H:35]1[C:43]([O:45][CH2:46][CH3:47])=[O:44].C(C1C=CC=C(C(C)(C)C)N=1)(C)(C)C>C(Cl)Cl>[CH2:46]([O:45][C:43]([C@@H:35]1[CH2:36][C:37]2[C:42](=[CH:41][CH:40]=[CH:39][CH:38]=2)[N:34]1[C:10](=[O:12])[C@@H:9]([NH:8][C:6]([O:5][C:1]([CH3:2])([CH3:3])[CH3:4])=[O:7])[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1)=[O:44])[CH3:47]
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참가 물질

7

반응물 5

HCID 1049PyridineHCID 12664Cyanuric fluorideHCID 685102,6-Di-tert-butylpyridineHCID 11010409(2S)-2-(((tert-butoxy)carbonyl)amino)-2-phenylacetic acidHCID 11030625(S)-Indoline-2-carboxylic acid ethyl ester

생성물 1

HCID 117873136HCID 117873136, 화합물수율 62.4%

시약·촉매·용매 1

HCID 6344Dichloromethane용매2회

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온도
23 °C

실험 절차

To a solution of (S)-2-(tert-butoxycarbonylamino)-2-phenylacetic acid (5.26 g, 20.9 mmol, Eq: 2) and pyridine (2.8 mL, 34.5 mmol, Eq: 3.3) in DCM (60 mL), cyanuric fluoride (4.66 g, 2.99 mL, 34.5 mmol, Eq: 3.3) was added. The reaction mixture was stirred at 23° C. for 2 h. The resulting precipitate was filtered off and the mother liquor was concentrated in vacuo. The residue was taken up in EtOAc, and washed with saturated aqueous NaHCO3, 0.5 M aqueous citric acid and brine, and concentrated in vacuo. The light brown oil was taken up in DCM (20 mL) and cooled in an ice bath. To this acid fluoride solution was added a solution of (S)-ethyl indoline-2-carboxylate (2 g, 10.5 mmol, Eq: 1) and 2,6-di-tert-butylpyridine (4.00 g, 4.62 mL, 20.9 mmol, Eq: 2) in DCM (20 mL). The resulting mixture was stirred at rt overnight. The reaction was concentrated in vacuo and the crude material was purified by flash chromatography (silica gel, 5% to 20% EtOAc in hexanes) to give (S)-1-((S)-2-tert-butoxycarbonylamino-2-phenyl-acetyl)-2,3-dihydro-1H-indole-2-carboxylic acid ethyl ester (2.78 g) as a light yellow foam, m/z=425 (M+H).

후처리

  1. filtrationThe resulting precipitate was filtered off
  2. concentrationthe mother liquor was concentrated in vacuo
  3. washwashed with saturated aqueous NaHCO3, 0.5 M aqueous citric acid and brine
  4. concentrationconcentrated in vacuo
  5. temperaturecooled in an ice bath
  6. stirringThe resulting mixture was stirred at rt overnight
  7. concentrationThe reaction was concentrated in vacuo
  8. customthe crude material was purified by flash chromatography (silica gel, 5% to 20% EtOAc in hexanes)

출처 및 근거

ORD 기록
ord-acc07c843ec541e581383cd10c03ee13
출처 데이터셋
uspto-grants-2016_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09403768B2

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