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

tert-Butyl carbamate → tert-butyl N-(3-fluoro-4-formylphenyl)carbamate

HRID 219
노트
인쇄 미리보기

반응식

HRID 219 반응식
CC(C)(C)OC(N)=O.O=Cc1ccc(Br)cc1F>Cc1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C([O-])[O-].[Cs+].[Cs+].[Pd].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>CC(C)(C)OC(=O)Nc1ccc(C=O)c(F)c1
참가 물질반응 조건실험 절차출처 및 근거반응 노트

참가 물질

7

반응물 2

HCID 77922tert-Butyl carbamateHCID 1435174-Bromo-2-fluorobenzaldehyde

생성물 1

HCID 84799500tert-butyl N-(3-fluoro-4-formylphenyl)carbamate수율 83.59%

시약·촉매·용매 4

HCID 10796Cesium carbonate시약HCID 634876Binap, (A+-)-촉매
HCID 6505921
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium
촉매
HCID 1140Toluene용매

반응 조건

온도
100 °C

실험 절차

A solution of 4-bromo-2-fluorobenzaldehyde (0.670 g, 3.30 mmol) dissolved in toluene (10 mL) was treated with tert-butyl carbamate (0.464 g, 3.96 mmol), rac-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl (0.164 g, 0.26 mmol), Bis(dibenzylideneacetone)palladium (0.076 g, 0.13 mmol) and cesium carbonate (1.527 g, 4.69 mmol) under nitrogen. The mixture was degassed under vacuum several times before heating at 100 °C for 24 hours. Reaction incomplete so heated for further 10 hours. The reaction mixture was diluted with water (250 mL), and extracted with ethyl acetate (250 mL X 2). The organic was dried over magnesium sulfate, filtered and evaporated to afford crude product. The crude product was purified by flash silica chromatography, elution 10% ethyl acetate in isohexane. Pure fractions were evaporated to dryness to afford tert-butyl 3-fluoro-4-formylphenylcarbamate (0.660 g, 84 %) as a yellow solid.

출처 및 근거

ORD 기록
ord-41642501237541609124229452d981cb
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
출처 보기

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차출처 및 근거반응 노트