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

1-Bromo-4-iodobenzene → 2-(4-Bromophenyl)-1,3-dihydroisoindole

HRID 644
노트
인쇄 미리보기

반응식

HRID 644 반응식
Brc1ccc(I)cc1.c1ccc2c(c1)CNC2>CC(=O)O.CC(=O)O.CC(C)(C)[O-].CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.Cc1ccccc1.[Na+].[Pd]>Brc1ccc(N2Cc3ccccc3C2)cc1
참가 물질반응 조건실험 절차출처 및 근거반응 노트

참가 물질

7

반응물 2

HCID 115221-Bromo-4-iodobenzeneHCID 422478Isoindoline

생성물 1

HCID 37138782-(4-Bromophenyl)-1,3-dihydroisoindole수율 48.3%

시약·촉매·용매 4

HCID 23676156Sodium t-butoxide시약HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)촉매
HCID 4144353
Palladium (II) acetate
촉매
HCID 1140Toluene용매

반응 조건

온도
100 °C

실험 절차

palladium(II) acetate (0.112 g, 0.50 mmol) and XANTPHOS (0.288 g, 0.50 mmol) were added to a degassed solution of isoindoline (0.566 ml, 4.98 mmol), 1-bromo-4-iodobenzene (1.41 g, 4.98 mmol) and SODIUM TERT-BUTOXIDE (1.197 g, 12.46 mmol) in toluene (49.3 ml) under nitrogen. The resulting solution was stirred at 100 °C for 18 hours. The reaction mixture was allowed to cool to RT and was partitioned between EtOAc and H2O, filtered and the organic layer separated and dried over MgSO4, filtered and evaporated to dryness to give crude product. The crude product preabsorbed onto SiO2 and was purified by flash silica (40g, grace) chromatography, elution gradient 0 to 10% DCM in heptane. Pure fractions were evaporated to dryness to afford 2-(4-bromophenyl)isoindoline (0.660 g, 48.3 %) as an orange solid.

출처 및 근거

ORD 기록
ord-be64b42a88614cc79bed55017a7f5289
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
출처 보기

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차출처 및 근거반응 노트