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Ethyl Acetate → 4'-Fluorobiphenyl-2-carboxylic acid (2-acetylamino-indan-5-yl)-amide

HRID 1531274
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HRID 1531274 반응식
[C:1]([NH:4][CH:5]1[CH2:13][C:12]2[C:7](=[CH:8][CH:9]=[C:10]([NH:14][C:15](=[O:23])[C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=3Br)[CH:11]=2)[CH2:6]1)(=[O:3])[CH3:2].[F:24][C:25]1[CH:30]=[CH:29][C:28](B(O)O)=[CH:27][CH:26]=1.[O-]P([O-])([O-])=O.[K+].[K+].[K+].C(OCC)(=O)C>COCCOC.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2]>[C:1]([NH:4][CH:5]1[CH2:13][C:12]2[C:7](=[CH:8][CH:9]=[C:10]([NH:14][C:15]([C:16]3[C:17]([C:28]4[CH:29]=[CH:30][C:25]([F:24])=[CH:26][CH:27]=4)=[CH:18][CH:19]=[CH:20][CH:21]=3)=[O:23])[CH:11]=2)[CH2:6]1)(=[O:3])[CH3:2]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 8857Ethyl AcetateHCID 62657Potassium Phosphate, TribasicHCID 2856454-Fluorophenylboronic acidHCID 21253364N-(2-acetylamino-indan-5-yl)-2-bromo-benzamide

생성물 1

HCID 543765954'-Fluorobiphenyl-2-carboxylic acid (2-acetylamino-indan-5-yl)-amide

시약·촉매·용매 2

HCID 44119782
Bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);dichloropalladium;iron(2+)
촉매
HCID 80711,2-Dimethoxyethane용매

실험 절차

To a solution of N-(2-acetylamino-indan-5-yl)-2-bromo-benzamide (the title C compound; 0.150 g, 0.40 mmol) and 4-fluorobenzeneboronic acid (0.0.84 g, 0.60 mmol) in DME (7 mL) is added PdCl2(dppf) (0.010 g, 0.012 mmol) followed by K3PO4 (0.25 g, 1.20 mmol). The reaction mixture is degassed and heated at reflux under N2 atmosphere for 16 h. After cooling to room temperature, the reaction mixture is diluted with water and extracted with ethyl acetate. The organic layer is dried (MgSO4) and concentrated under reduced pressure to give a tan solid. Trituration with ethyl acetate gives 4′-fluorobiphenyl-2-carboxylic acid (2-acetylamino-indan-5-yl)-amide as a grey solid, mp 218-220° C. MS (ES+), m/z 389 (M+1).

후처리

  1. customThe reaction mixture is degassed
  2. temperatureheated
  3. temperatureat reflux under N2 atmosphere for 16 h
  4. additionthe reaction mixture is diluted with water
  5. extractionextracted with ethyl acetate
  6. dry with materialThe organic layer is dried (MgSO4)
  7. concentrationconcentrated under reduced pressure
  8. customto give a tan solid

출처 및 근거

ORD 기록
ord-321e127da22f4698a5198e740bd6dc1a
출처 데이터셋
uspto-grants-2001_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06197798B1

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