홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Potassium Phosphate, Tribasic → Tert-butyl 8-(4-fluorophenyl)-3-pyridin-2-yl[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

HRID 592301
노트
인쇄 미리보기

반응식

HRID 592301 반응식
Cl[C:2]1[C:3]2[N:4]([C:15]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][N:19]=3)=[N:16][N:17]=2)[CH:5]=[C:6]([C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9])[CH:7]=1.[F:24][C:25]1[CH:30]=[CH:29][C:28](B(O)O)=[CH:27][CH:26]=1.C1(P(C2CCCCC2)C2C=CC=CC=2C2C(C(C)C)=CC(C(C)C)=CC=2C(C)C)CCCCC1.[O-]P([O-])([O-])=O.[K+].[K+].[K+]>C1(C)C=CC=CC=1.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[F:24][C:25]1[CH:30]=[CH:29][C:28]([C:2]2[C:3]3[N:4]([C:15]([C:18]4[CH:23]=[CH:22][CH:21]=[CH:20][N:19]=4)=[N:16][N:17]=3)[CH:5]=[C:6]([C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9])[CH:7]=2)=[CH:27][CH:26]=1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 62657Potassium Phosphate, TribasicHCID 2856454-Fluorophenylboronic acidHCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 66690204Tert-butyl 8-chloro-3-pyridin-2-yl[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

생성물 1

HCID 66690905Tert-butyl 8-(4-fluorophenyl)-3-pyridin-2-yl[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
수율 89.9%

시약·촉매·용매 2

HCID 167845palladium(II) acetate촉매HCID 1140Toluene용매

반응 조건

온도
110 °C

실험 절차

To a solution of tert-butyl 8-chloro-3-pyridin-2-yl[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (0.5 g, 1.51 mmol) in toluene (12 mL) were added (4-fluorophenyl)boronic acid (0.32 g, 2.27 mmol), 2-dicyclohexylphosphino-2′,4′,6′-triisopropylbiphenyl (72.1 mg, 0.15 mmol), palladium(II) acetate (33.9 mg, 0.15 mmol) and potassium phosphate tribasic (0.96 g, 4.53 mmol). The mixture was heated to 110° C. After 2 h, the mixture was cooled to ambient temperature, filtered with Celite and the filtrate was concentrated. Purification by silica gel chromatography (100% dichloromethane→60% dichloromethane/ethyl acetate) gave of the title compound (0.53 g): LC-MS [M+1]=391.2.

후처리

  1. temperaturethe mixture was cooled to ambient temperature
  2. filtrationfiltered with Celite
  3. concentrationthe filtrate was concentrated
  4. customPurification by silica gel chromatography (100% dichloromethane→60% dichloromethane/ethyl acetate)

출처 및 근거

ORD 기록
ord-e6a1d6a5c0d145e2a5a35a01244c3a43
출처 데이터셋
uspto-grants-2016_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09238647B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트