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

Isobutyl nitrite → 5-bromo-1H-indazole

HRID 1162147
노트
인쇄 미리보기

반응식

HRID 1162147 반응식
N[C:2]1[C:10]2[C:5](=[CH:6][CH:7]=[C:8]([Br:11])[CH:9]=2)[NH:4][N:3]=1.[PH2](O)=O.N(OCC(C)C)=O>C(O)C>[Br:11][C:8]1[CH:9]=[C:10]2[C:5](=[CH:6][CH:7]=1)[NH:4][N:3]=[CH:2]2
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 10958Isobutyl nitrite2회HCID 8179103-Amino-5-bromo-1H-indazoleHCID 4124402Phosphinic Acid

생성물 1

HCID 7619295-bromo-1H-indazole수율 40.1%

시약·촉매·용매 1

HCID 702Ethanol용매

반응 조건

온도
0 °C

실험 절차

A mixture of 3-amino-5-bromo-indazole, (4.60 g, 22 mmol) and ethanol (50 mL) was treated with hypophosphorous acid (50% aqueous solution, 9.6 ml, 87 mmol) and cooled to 0° C. To the reaction mixture was added isobutyl nitrite (2.6 mL, 22 mmol). The mixture was warmed to room temperature and the yellow suspension was stirred for two hours. The resulting brown suspension was treated with isobutyl nitrite (1 mL) and stirred at room temperature for one hour. The reaction was quenched with brine (100 mL) and the mixture extracted with ethyl acetate (2×100 mL). The combined organic layers were dried over magnesium sulfate, filtered and evaporated to a brown oil which was purified by chromatography using silica gel and hexane/ethyl acetate to give 5-bromo-indazole as a tan solid (1.74 g, 40%): mp 122-124° C.; MS [M+H]+ 195, 197.

후처리

  1. temperatureThe mixture was warmed to room temperature
  2. stirringstirred at room temperature for one hour
  3. customThe reaction was quenched with brine (100 mL)
  4. extractionthe mixture extracted with ethyl acetate (2×100 mL)
  5. dry with materialThe combined organic layers were dried over magnesium sulfate
  6. filtrationfiltered
  7. customevaporated to a brown oil which
  8. customwas purified by chromatography

출처 및 근거

ORD 기록
ord-2a234837d2824214a222fe395847aefd
출처 데이터셋
uspto-grants-2010_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07820670B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트