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p-Toluenesulfonic acid monohydrate → (S)-3-{[4-(4-Acetyl-3-hydroxy-2-propyl-phenylsulfanylmethyl)-phenyl]-hydroxy-methyl}-benzonitrile

HRID 1717722
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HRID 1717722 반응식
O.C1(C)C=CC(S(O)(=O)=O)=CC=1.[C:13]([C:16]1[CH:21]=[CH:20][C:19]([S:22][CH2:23][C:24]2[CH:29]=[CH:28][C:27]([C@H:30]([O:39]C3CCCCO3)[C:31]3[CH:32]=[C:33]([CH:36]=[CH:37][CH:38]=3)[C:34]#[N:35])=[CH:26][CH:25]=2)=[C:18]([CH2:46][CH2:47][CH3:48])[C:17]=1[OH:49])(=[O:15])[CH3:14]>CO>[C:13]([C:16]1[CH:21]=[CH:20][C:19]([S:22][CH2:23][C:24]2[CH:25]=[CH:26][C:27]([C@H:30]([OH:39])[C:31]3[CH:32]=[C:33]([CH:36]=[CH:37][CH:38]=3)[C:34]#[N:35])=[CH:28][CH:29]=2)=[C:18]([CH2:46][CH2:47][CH3:48])[C:17]=1[OH:49])(=[O:15])[CH3:14]
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참가 물질

4

반응물 2

HCID 521998p-Toluenesulfonic acid monohydrateHCID 66699467HCID 66699467, 화합물

생성물 1

HCID 66699627(S)-3-{[4-(4-Acetyl-3-hydroxy-2-propyl-phenylsulfanylmethyl)-phenyl]-hydroxy-methyl}-benzonitrile수율 84%

시약·촉매·용매 1

HCID 887Methanol용매

실험 절차

Add p-toluenesulfonic acid monohydrate (78 mg, 0.41 mmol) to a solution of (S)-3-[[4-(4-Acetyl-3-hydroxy-2-propyl-phenylsulfanylmethyl)-phenyl]-(tetrahydro-pyran-2-yloxy)-methyl]-benzonitrile (177 mg, 0.34 mmol) in methanol (5 ml) at room temperature. Stir the mixture for 1.5 hours, concentrate, and dissolve the residue in ethyl acetate (25 ml) and saturated aqueous sodium bicarbonate (35 ml). Wash the organic layer with saturated aqueous sodium bicarbonate, brine, dry over sodium sulfate and concentrate. Purify the crude product via silica chromatography eluting with 1:2 ethyl acetate:hexanes to give the title compound (122 mg, 84%). MS (m/z) 430 (M−H).

후처리

  1. concentrationconcentrate
  2. dissolutiondissolve the residue in ethyl acetate (25 ml)
  3. washWash the organic layer with saturated aqueous sodium bicarbonate, brine
  4. dry with materialdry over sodium sulfate
  5. concentrationconcentrate
  6. customPurify the crude product via silica chromatography
  7. washeluting with 1:2 ethyl acetate

출처 및 근거

ORD 기록
ord-1027799164ed4629b45cb49b277dff79
출처 데이터셋
uspto-grants-2010_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07803938B2

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