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Ethyl Acetate → HCID 67123010, 화합물

HRID 2046385
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HRID 2046385 반응식
[CH2:1]([N:8]1[C:13](=[O:14])[CH:12]=[C:11](I)[CH:10]=[N:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[F:16][C:17]1[CH:22]=[CH:21][C:20](B(O)O)=[CH:19][CH:18]=1.C(=O)([O-])[O-].[K+].[K+].C(OCC)(=O)C>O1CCOCC1.O.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[CH2:1]([N:8]1[C:13](=[O:14])[CH:12]=[C:11]([C:20]2[CH:21]=[CH:22][C:17]([F:16])=[CH:18][CH:19]=2)[CH:10]=[N:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 4

HCID 8857Ethyl AcetateHCID 11430Potassium CarbonateHCID 2856454-Fluorophenylboronic acidHCID 469421452-Benzyl-5-iodopyridazin-3(2H)-one

생성물 1

HCID 67123010HCID 67123010, 화합물

시약·촉매·용매 3

HCID 178418397HCID 178418397, 화합물
촉매
HCID 962Water용매2회
HCID 312751,4-Dioxane용매

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온도
100 °C

실험 절차

2-Benzyl-5-iodopyridazine-3(2H)-one (5.0 g, 16 mmol), 4-fluorophenyl boronic acid (2.91 g, 20.8 mmol), Pd(Ph3P)4 (0.93 g, 0.80 mmol), and potassium carbonate (6.64 g, 48.1 mmol) were combined in dioxane (120 ml) and Water (40 ml). The reaction mixture was refluxed at 100° C. for 3 h, cooled to room temperature, and poured into ethyl acetate (200 mL) and water (200 mL). The mixture was extracted with ethyl acetate (3×200 mL). The combined organics were washed with water, dried (sodium sulfate), concentrated, and purified by flash chromatography to afford the title compound as a white solid. 1H NMR (500 MHz, CD3SOCD3) δ 8.38 (d, 1H); 7.25-7.92 (m, 10H); 5.27 (s, 2H). LRMS (APCI) calc'd for (C17H14FN2O) [M+H]+, 281.1. found 281.1.

후처리

  1. temperaturecooled to room temperature
  2. extractionThe mixture was extracted with ethyl acetate (3×200 mL)
  3. washThe combined organics were washed with water
  4. dry with materialdried (sodium sulfate)
  5. concentrationconcentrated
  6. custompurified by flash chromatography

출처 및 근거

ORD 기록
ord-e696953cc84b46e899a7fc76b45869cc
출처 데이터셋
uspto-grants-2013_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08592425B2

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