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Benzyl Alcohol → HCID 59999814, 화합물

HRID 1825330
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HRID 1825330 반응식
C([N:3]([CH2:6]C)CC)C.C1(P(N=[N+]=[N-])(C2C=CC=CC=2)=[O:15])C=CC=CC=1.[Cl:25][C:26]1[CH:31]=[CH:30][C:29]([CH2:32][CH2:33][CH2:34][CH:35]([CH2:39][C:40]([O:42][C:43]([CH3:46])([CH3:45])[CH3:44])=[O:41])C(O)=O)=[CH:28][CH:27]=1.[CH2:47]([OH:54])[C:48]1[CH:53]=[CH:52][CH:51]=[CH:50][CH:49]=1>C1(C)C=CC=CC=1>[Cl:25][C:26]1[CH:27]=[CH:28][C:29]([CH2:32][CH2:33][CH2:34][C@H:35]([NH:3][C:6]([O:54][CH2:47][C:48]2[CH:53]=[CH:52][CH:51]=[CH:50][CH:49]=2)=[O:15])[CH2:39][C:40]([O:42][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:41])=[CH:30][CH:31]=1
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참가 물질

6

반응물 4

HCID 244Benzyl AlcoholHCID 8471TriethylamineHCID 199401P,P-Diphenylphosphinic azideHCID 54051726HCID 54051726, 화합물2회

생성물 1

HCID 59999814HCID 59999814, 화합물수율 49.7%

시약·촉매·용매 1

HCID 1140Toluene용매

실험 절차

Triethylamine (1.2 ml, 8.9 mmol) followed by diphenylphosphoryl azide (1.6 ml, 7.4 mmol) was added to a solution of 4-tert-butyl hydrogen 2-(4-chlorophenylpropyl)succinate (WO 9504033 intermediate 2f) (2.4 g, 7.4 mmol) in toluene (250 ml), and the solution stirred at room temperature for 30 minutes, then under reflux for a further 3 hours. The mixture was cooled to 50° C., benzyl alcohol (2.3 ml, 22.3 mmol) added, and the reaction heated under reflux for 18 hours. The cooled mixture was concentrated under reduced pressure and the residue dissolved in ethyl acetate (125 ml). This solution was washed with saturated ammonium chloride solution (100 ml), brine (100 ml) and water (100 ml), then dried (MgSO4) and concentrated under reduced pressure. The product was purified by column chromatography on silica gel using ethyl acetate:pentane (6:94) as eluant to afford the title compound as a colourless oil 1.59 g; 1H NMR (CDCl3, 400 MHz) δ: 1.41 (s, 9H), 1.46–1.70 (m, 4H), 2.40 (m, 2H), 2.58 (m, 2H), 3.98 (m, 1H), 5.10 (s, 2H), 5.20 (d, 1H), 7.05 (d, 2H), 7.22 (m, 3H), 7.32 (m, 4H); LRMS: m/z (ES+) 454 [MNa+].

후처리

  1. temperatureunder reflux for a further 3 hours
  2. temperatureThe mixture was cooled to 50° C.
  3. temperaturethe reaction heated
  4. temperatureunder reflux for 18 hours
  5. concentrationThe cooled mixture was concentrated under reduced pressure
  6. dissolutionthe residue dissolved in ethyl acetate (125 ml)
  7. washThis solution was washed with saturated ammonium chloride solution (100 ml), brine (100 ml) and water (100 ml)
  8. dry with materialdried (MgSO4)
  9. concentrationconcentrated under reduced pressure
  10. customThe product was purified by column chromatography on silica gel

출처 및 근거

ORD 기록
ord-4e3c141ec2224ec79bea93d9c1e611b9
출처 데이터셋
uspto-grants-2006_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07045653B2

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