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Water → (3aS,5S,6R,6aS)-5-((S)-(3-(4-chlorobenzyl)-4-methylphenyl)(hydroxy)-methyl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol

HRID 1499292
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HRID 1499292 반응식
[Cl:1][C:2]1[CH:28]=[CH:27][C:5]([CH2:6][C:7]2[CH:8]=[C:9]([C:14]([C@@H:16]3[O:25][C@H:19]4[O:20][C:21]([CH3:24])([CH3:23])[O:22][C@H:18]4[C@@H:17]3[OH:26])=[O:15])[CH:10]=[CH:11][C:12]=2[CH3:13])=[CH:4][CH:3]=1.O.[BH4-].[Na+]>CO>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:6][C:7]2[CH:8]=[C:9]([C@H:14]([OH:15])[C@@H:16]3[O:25][C@H:19]4[O:20][C:21]([CH3:24])([CH3:23])[O:22][C@H:18]4[C@@H:17]3[OH:26])[CH:10]=[CH:11][C:12]=2[CH3:13])=[CH:27][CH:28]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 962WaterHCID 4311764Sodium borohydride2회HCID 90177836(3-(4-chlorobenzyl)-4-methylphenyl)((3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]-dioxol-5-yl)methanone

생성물 1

HCID 90177900(3aS,5S,6R,6aS)-5-((S)-(3-(4-chlorobenzyl)-4-methylphenyl)(hydroxy)-methyl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol수율 99%

시약·촉매·용매 1

HCID 887
Methanol
용매

실험 절차

(3-(4-chlorobenzyl)-4-methyl phenyl)((3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanone (4, 26.1 g, 64.9 mmol) and CeCl3.7 H2O (29.0 g, 77.9 mmol) were suspended in 520 mL of MeOH. Sodium borohydride (982 mg, 26.0 mmol, dissolved in 10 mL of 1N aqueous NaOH) was added and the reactants slowly went into solution over about 5 minutes. Another 100 mg (2.6 mmol) of sodium borohydride was added to push the reaction to completion. The reaction was stirred for 10 minutes and quenched with 500 mL of saturated aqueous NH4Cl. Most of the MeOH was removed in vacuo and the residual solvents were diluted with a 1:1 (v:v) solution of saturated aqueous NH4Cl:brine. The aqueous layer was extracted three times with 500 mL of EtOAc. The combined organic layers were washed with brine, dried over MgSO4, filtered, and concentrated under vacuum. The crude product was used without further purification in the next step (26.2 g, 99% yield, >10:1 d.r.). 1H NMR (400 MHz, CHLOROFORM-d) δ ppm 7.14-7.31 (m, 5 H), 7.04 (d, J=8.3 Hz, 2 H), 6.04 (d, J=3.8 Hz, 1 H), 5.24 (t, J=3.4 Hz, 1H), 4.51 (d, J=3.8 Hz, 1 H), 4.14-4.21 (m, 2 H), 4.04 (d, J=1.5 Hz, 1 H), 3.97 (s, 2 H), 2.77 (d, J=3.0 Hz, 1 H), 2.20-2.27 (m, 3 H), 1.46 (s, 3 H), 1.33 (s, 3 H). MS (ES+) [M+NH4]+=422.

후처리

  1. customthe reaction to completion
  2. customquenched with 500 mL of saturated aqueous NH4Cl
  3. customMost of the MeOH was removed in vacuo
  4. additionthe residual solvents were diluted with a 1:1 (v:v) solution of saturated aqueous NH4Cl
  5. extractionThe aqueous layer was extracted three times with 500 mL of EtOAc
  6. washThe combined organic layers were washed with brine
  7. dry with materialdried over MgSO4
  8. filtrationfiltered
  9. concentrationconcentrated under vacuum
  10. customThe crude product was used without further purification in the next step (26.2 g, 99% yield, >10:1 d.r.)

출처 및 근거

ORD 기록
ord-e55576bfe2a04bf9b05e10addb27f85f
출처 데이터셋
uspto-grants-2015_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09200025B2

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