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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0

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Potassium Fluoride → 3-[4-(6-Chloro-pyridin-3-yl)-5,5-dimethyl-5h-furan-(2e)-ylidene]-6-fluoro-1,3-dihydro-indol-2-one

HRID 383504

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HRID 383504 반응식

Br[C:2]1[C:6]([CH3:8])([CH3:7])[O:5]/[C:4](=[C:9]2/[C:10](=[O:19])[NH:11][C:12]3[C:17]/2=[CH:16][CH:15]=[C:14]([F:18])[CH:13]=3)/[CH:3]=1.[F-].[K+].[Cl:22][C:23]1[CH:28]=[CH:27][C:26](B(O)O)=[CH:25][N:24]=1>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].O1CCOCC1>[Cl:22][C:23]1[N:24]=[CH:25][C:26]([C:2]2[C:6]([CH3:8])([CH3:7])[O:5]/[C:4](=[C:9]3/[C:10](=[O:19])[NH:11][C:12]4[C:17]/3=[CH:16][CH:15]=[C:14]([F:18])[CH:13]=4)/[CH:3]=2)=[CH:27][CH:28]=1

참가 물질 반응 조건 실험 절차 후처리 출처 및 근거 반응 노트

참가 물질

6

반응물 3

HCID 522689Potassium Fluoride

HCID 38450342-Chloropyridine-5-boronic acid

HCID 58926029(3E)-3-(4-bromo-5,5-dimethylfuran-2(5H)-ylidene)-6-fluoro-1,3-dihydro-2H-indol-2-one

생성물 1

HCID 589262043-[4-(6-Chloro-pyridin-3-yl)-5,5-dimethyl-5h-furan-(2e)-ylidene]-6-fluoro-1,3-dihydro-indol-2-one수율 60%

시약·촉매·용매 2

HCID 44119782

Bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);dichloropalladium;iron(2+)

촉매

HCID 312751,4-Dioxane용매

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온도: 70 °C

실험 절차

To 240 mL of 1,4-dioxane, were added (3E)-3-(4-bromo-5,5-dimethylfuran-2(5H)-ylidene)-6-fluoro-1,3-dihydro-2H-indol-2-one (3.0 g, 9.3 mmol), [1,1′-bis(diphenylphosphino)ferrocene]dichloropalladium(II) (complex with CH2Cl2, 360 mg, 0.49 mmol), 1M KF aqueous solution (37.5 mL, 37.5 mmol). The resulting mixture was heated at 70° C. under Ar and then 2-chloro-5-pyridineboronic acid (1.57 g, 10.0 mmol) was added in several portions. The reaction was heated at 70° C. under Ar for 22 hours. LC-MS indicated that no starting material molecular peak left; the major peak at 2.59 min with MH+=357.0 was assigned to the product, 3-[4-(6-chloro-pyridin-3-yl)-5,5-dimethyl-5H-furan-(2E)-ylidene]-6-fluoro-1.3-dihydro-indol-2-one (yield>60%).

후처리

temperatureThe reaction was heated at 70° C. under Ar for 22 hours
waitleft

출처 및 근거

ORD 기록: ord-8dfad353bf314286874ae472c5f14cd6
출처 데이터셋: uspto-grants-2013_02
DOI: 10.6084/m9.figshare.5104873.v1
특허 번호: US08367664B2

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