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

Water → 5-Bromo-3-phenyl-2,1-benzisoxazole

HRID 463499
노트
인쇄 미리보기

반응식

HRID 463499 반응식
[C:1]1([CH2:7][C:8]#N)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[OH-].[K+].[Br:12][C:13]1[CH:18]=C[C:16]([N+:19]([O-])=[O:20])=[CH:15][CH:14]=1.O>CO>[Br:12][C:13]1[CH:14]=[CH:15][C:16]2[C:8]([CH:18]=1)=[C:7]([C:1]1[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1)[O:20][N:19]=2
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 962WaterHCID 8794PhenylacetonitrileHCID 114661-Bromo-4-nitrobenzeneHCID 14797Potassium Hydroxide

생성물 1

HCID 3472905-Bromo-3-phenyl-2,1-benzisoxazole수율 55.2%

시약·촉매·용매 1

HCID 887Methanol용매2회

반응 조건

온도
50 °C

실험 절차

Phenylacetonitrile (8.1 g, 69 m mol) was added to a room temperature solution of potassium hydroxide (85%) (74 g, 1.1 mol) in methanol (150 ml). To this was added 4-bromo-1-nitrobenzene (12.7 g, 63 m mol) suspended in methanol (130 ml). An exotherm was noted and the reaction was maintained at 50° C. for 5 hrs. After cooling to room temperature, water (400 ml) was added. The precipitate was collected and washed with water. The crude product (13.15 g) was crystallized from hot methanol (200 ml) to yield yellow needles (9.52 g, mp 113°-116° C.).

후처리

  1. temperatureAfter cooling to room temperature
  2. customThe precipitate was collected
  3. washwashed with water
  4. customThe crude product (13.15 g) was crystallized from hot methanol (200 ml)

출처 및 근거

ORD 기록
ord-39a666215a974adfb01f7dbda4363047
출처 데이터셋
uspto-grants-1985_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US04519938

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트