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Sodium Methoxide → 1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1, 2,4-triazol-1-yl)-2-butylsulfonyl]-4-(4-methyl-4H-1,2,4-triazol-3-ylmethyl) piperazine

HRID 274607
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HRID 274607 반응식
Cl.Cl.[F:3][C:4]1[CH:9]=[C:8]([F:10])[CH:7]=[CH:6][C:5]=1[C@@:11]([OH:29])([CH2:23][N:24]1[CH:28]=[N:27][CH:26]=[N:25]1)[C@H:12]([S:14]([N:17]1[CH2:22][CH2:21][NH:20][CH2:19][CH2:18]1)(=[O:16])=[O:15])[CH3:13].Cl.Cl[CH2:32][C:33]1[N:37]([CH3:38])[CH:36]=[N:35][N:34]=1.C[O-].[Na+]>CO>[F:3][C:4]1[CH:9]=[C:8]([F:10])[CH:7]=[CH:6][C:5]=1[C@@:11]([OH:29])([CH2:23][N:24]1[CH:28]=[N:27][CH:26]=[N:25]1)[C@H:12]([S:14]([N:17]1[CH2:22][CH2:21][N:20]([CH2:32][C:33]2[N:37]([CH3:38])[CH:36]=[N:35][N:34]=2)[CH2:19][CH2:18]1)(=[O:16])=[O:15])[CH3:13]
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참가 물질

5

반응물 3

HCID 10942334Sodium MethoxideHCID 186592571-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butylsulfonyl]piperazine.dihydrochloride2회HCID 223819093-(chloromethyl)-4-methyl-4H-1,2,4-triazole hydrochloride

생성물 1

HCID 542808911-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1, 2,4-triazol-1-yl)-2-butylsulfonyl]-4-(4-methyl-4H-1,2,4-triazol-3-ylmethyl) piperazine수율 25.8%

시약·촉매·용매

1
HCID 887Methanol용매2회

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온도
70 °C

실험 절차

In methanol (6 ml) were dissolved 1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butylsulfonyl]piperazine-dihydrochloride (Compound 20, 0.40 g) and 3-chloromethyl-4-methyl-4H1,2,4-triazole.hydrochloride (255 mg). To the solution was added 1N-methanol solution of sodium methylate (3.69 ml), and the mixture was heated at 70° C. for 14 hours, then the reaction mixture was concentrated. The concentrate was dissolved in dichloromethane (30 ml), washed with water, dried and concentrated. The concentrate was recrystallized from ethyl acetate to give 1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1, 2,4-triazol-1-yl)-2-butylsulfonyl]-4-(4-methyl-4H-1,2,4-triazol-3-ylmethyl) piperazine (Compound 26, 108 mg) as pale yellow crystals.

후처리

  1. concentrationthe reaction mixture was concentrated
  2. dissolutionThe concentrate was dissolved in dichloromethane (30 ml)
  3. washwashed with water
  4. customdried
  5. concentrationconcentrated
  6. customThe concentrate was recrystallized from ethyl acetate

출처 및 근거

ORD 기록
ord-a59c09cb34ee419c8919fb697eaf4bb6
출처 데이터셋
uspto-grants-1995_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05389663

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