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

4-(1H-imidazol-1-yl)aniline → N-(4-(1H-imidazol-1-yl)phenyl)-4-methyl-2-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine

HRID 10
노트
인쇄 미리보기

반응식

HRID 10 반응식
CN1Cc2ccc(Cl)nc2OC(c2ccccc2)C1.Nc1ccc(-n2ccnc2)cc1>CC(=O)O.CC(=O)O.COCCOC.O=C([O-])[O-].[Cs+].[Cs+].[Pd].c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1>CN1Cc2ccc(Nc3ccc(-n4ccnc4)cc3)nc2OC(c2ccccc2)C1
참가 물질반응 조건실험 절차출처 및 근거반응 노트

참가 물질

7

반응물 2

HCID 3201654-(1H-imidazol-1-yl)anilineHCID 595778668-Chloro-4-methyl-2-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine

생성물 1

HCID 49821013N-(4-(1H-imidazol-1-yl)phenyl)-4-methyl-2-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine수율 41.47%

시약·촉매·용매 4

HCID 10796Cesium carbonate시약
HCID 2734216
2-(Dicyclohexylphosphino)biphenyl
촉매
HCID 4144353Palladium (II) acetate촉매
HCID 80711,2-Dimethoxyethane용매

반응 조건

온도
100 °C

실험 절차

[Reactants], 8-chloro-4-methyl-2-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine (0.120 g, 0.44 mmol), Palladium(II) acetate (9.81 mg, 0.04 mmol), 2-(Dicyclohexylphosphino)biphenyl (0.015 g, 0.04 mmol) and Cesium carbonate (0.427 g, 1.31 mmol) in DME (2.5 mL) were placed in a microwave vial and flushed with argon. The reaction mixture was then run in the microwave at 100°C for 1 hr. Reaction not complete. Run for another 30 minutes in the microwave. Still not complete. Added 0.1 eq of Palladium(II)acetate and 0.1 eq of 2-(Dicyclohexylphosphino)biphenyl and let the reaction mixture run in the microwave for additional 45 minutes. Reaction complete. The reaction mixture was filtrated through celite and the filtrate was concentrated. The crude product was purified by preparative chromatography giving 0.072 g (41%) of the product. N-(4-(1H-imidazol-1-yl)phenyl)-4-methyl-2-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine

출처 및 근거

ORD 기록
ord-fa122fe6774f45c5b7a107c1460052d3
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
출처 보기

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차출처 및 근거반응 노트