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Benzyl 3-(5-cyano-4-(2,6-difluorophenyl)-N-isopropyl-1H-1,2,3-triazole-1-carboxamido)benzoate → 3-(5-cyano-4-(2,6-difluorophenyl)-N-isopropyl-1H-1,2,3-triazole-1-carboxamido)benzoic acid

HRID 2097675
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인쇄 미리보기

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HRID 2097675 반응식
[C:1]([C:3]1[N:7]([C:8]([N:10]([C:14]2[CH:15]=[C:16]([CH:27]=[CH:28][CH:29]=2)[C:17]([O:19]CC2C=CC=CC=2)=[O:18])[CH:11]([CH3:13])[CH3:12])=[O:9])[N:6]=[N:5][C:4]=1[C:30]1[C:35]([F:36])=[CH:34][CH:33]=[CH:32][C:31]=1[F:37])#[N:2].[H][H]>CO.[Pd]>[C:1]([C:3]1[N:7]([C:8]([N:10]([C:14]2[CH:15]=[C:16]([CH:27]=[CH:28][CH:29]=2)[C:17]([OH:19])=[O:18])[CH:11]([CH3:13])[CH3:12])=[O:9])[N:6]=[N:5][C:4]=1[C:30]1[C:31]([F:37])=[CH:32][CH:33]=[CH:34][C:35]=1[F:36])#[N:2]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 2

HCID 58501889Benzyl 3-(5-cyano-4-(2,6-difluorophenyl)-N-isopropyl-1H-1,2,3-triazole-1-carboxamido)benzoateHCID 178418361HCID 178418361, 화합물

생성물 1

HCID 545887653-(5-cyano-4-(2,6-difluorophenyl)-N-isopropyl-1H-1,2,3-triazole-1-carboxamido)benzoic acid

시약·촉매·용매 2

HCID 23938Palladium촉매HCID 887Methanol용매

실험 절차

To a solution of benzyl ester (6) (1.0 equiv) in methanol (0.1 M) under argon was added 5% Pd/C (0.1 equiv) and the inert atmosphere was replaced with hydrogen. The resulting mixture was stirred at rt for 30 min, filtered through a pad of Celite with aid of methanol and the resulting filtrate concentrated in vacuo. The residue was purified by preparative HPLC (0.1% formic acid in acetonitrile/water) to afford 3-(5-cyano-4-(2,6-difluorophenyl)-N-isopropyl-1H-1,2,3-triazole-1-carboxamido)benzoic acid (7) as a lyophilized powder.

후처리

  1. filtrationfiltered through a pad of Celite with aid of methanol
  2. concentrationthe resulting filtrate concentrated in vacuo
  3. customThe residue was purified by preparative HPLC (0.1% formic acid in acetonitrile/water)

출처 및 근거

ORD 기록
ord-d0efb327d0cd4d748b6e112bb6564f83
출처 데이터셋
uspto-grants-2013_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08450350B2

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