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(Pyridin-4-yl)boronic acid → tert-butyl 4-(3-fluorophenyl)-3-(3-(pyridin-4-yl)-1-trityl-1H-indazole-5-carboxamido)piperidine-1-carboxylate

HRID 1467321
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HRID 1467321 반응식
Br[C:2]1[C:10]2[C:5](=[CH:6][CH:7]=[C:8]([C:11]([NH:13][CH:14]3[CH:19]([C:20]4[CH:25]=[CH:24][CH:23]=[C:22]([F:26])[CH:21]=4)[CH2:18][CH2:17][N:16]([C:27]([O:29][C:30]([CH3:33])([CH3:32])[CH3:31])=[O:28])[CH2:15]3)=[O:12])[CH:9]=2)[N:4]([C:34]([C:47]2[CH:52]=[CH:51][CH:50]=[CH:49][CH:48]=2)([C:41]2[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=2)[C:35]2[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=2)[N:3]=1.[N:53]1[CH:58]=[CH:57][C:56](B(O)O)=[CH:55][CH:54]=1>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>[F:26][C:22]1[CH:21]=[C:20]([CH:19]2[CH2:18][CH2:17][N:16]([C:27]([O:29][C:30]([CH3:33])([CH3:31])[CH3:32])=[O:28])[CH2:15][CH:14]2[NH:13][C:11]([C:8]2[CH:9]=[C:10]3[C:5](=[CH:6][CH:7]=2)[N:4]([C:34]([C:41]2[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=2)([C:47]2[CH:48]=[CH:49][CH:50]=[CH:51][CH:52]=2)[C:35]2[CH:36]=[CH:37][CH:38]=[CH:39][CH:40]=2)[N:3]=[C:2]3[C:56]2[CH:57]=[CH:58][N:53]=[CH:54][CH:55]=2)=[O:12])[CH:25]=[CH:24][CH:23]=1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

4

반응물 2

HCID 2734379(Pyridin-4-yl)boronic acidHCID 67996835tert-butyl 3-(3-bromo-1-trityl-1H-indazole-5-carboxamido)-4-(3-fluorophenyl)piperidine-1-carboxylate

생성물 1

HCID 67996977tert-butyl 4-(3-fluorophenyl)-3-(3-(pyridin-4-yl)-1-trityl-1H-indazole-5-carboxamido)piperidine-1-carboxylate

시약·촉매·용매 1

HCID 178418397HCID 178418397, 화합물촉매

반응 조건

온도
80 °C

실험 절차

tert-butyl 3-(3-bromo-1-trityl-1H-indazole-5-carboxamido)-4-(3-fluorophenyl)-piperidine-1-carboxylate (80 mg, 0.105 mmol) was added to a vial containing pyridin-4-ylboronic acid (13 mg, 0.105 mmol) and tetrakis(triphenylphosphine)palladium (13 mg, 0.0105 mmol). After purging the vial with nitrogen gas, dioxane (0.5 mL) and 2M sodium carbonate (0.5 mL) was added to the vial respectively. The reaction mixture was stirred and was heated to 80° C. for overnight. Upon completion, the mixture was concentrated under vacuo. Water (3 mL) was added and was extracted using dichloromethane (3×5 mL). The extracts were combined and dried using anhydrous sodium sulfate. The resulting suspension was filtered and concentrated. The crude product was progressed to the next step without purification.

후처리

  1. customAfter purging the vial with nitrogen gas, dioxane (0.5 mL) and 2M sodium carbonate (0.5 mL)
  2. additionwas added to the vial respectively
  3. concentrationUpon completion, the mixture was concentrated under vacuo
  4. additionWater (3 mL) was added
  5. extractionwas extracted
  6. customdried
  7. filtrationThe resulting suspension was filtered
  8. concentrationconcentrated
  9. customThe crude product was progressed to the next step without purification

출처 및 근거

ORD 기록
ord-93b8ce6e91fc40dfb369978dbceaf674
출처 데이터셋
uspto-grants-2015_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08999957B2

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