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

Water → Ethyl 4-amino-3-bromobenzoate

HRID 508015
노트
인쇄 미리보기

반응식

HRID 508015 반응식
[NH2:1][C:2]1[CH:12]=[CH:11][C:5]([C:6]([O:8][CH2:9][CH3:10])=[O:7])=[CH:4][CH:3]=1.C(N(CC)CC)C.[Br:20]Br.O>C(O)(=O)C>[NH2:1][C:2]1[CH:3]=[CH:4][C:5]([C:6]([O:8][CH2:9][CH3:10])=[O:7])=[CH:11][C:12]=1[Br:20]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 962WaterHCID 2337BenzocaineHCID 8471TriethylamineHCID 24408Bromine

생성물 1

HCID 242793Ethyl 4-amino-3-bromobenzoate수율 103.6%

시약·촉매·용매 1

HCID 176Acetic Acid용매

실험 절차

To a solution of ethyl 4-aminobenzoate (10.0 g, 59.3 mmol) and triethylamine (18.4 mL, 130 mmol) in acetic acid (30 mL) was slowly added dropwise bromine (3.04 mL, 59.3 mmol) under stirring at room temperature. The reaction mixture was stirred at room temperature for 2 hr and cold water (400 mL) was added. The precipitated solid was collected by filtration, washed with cold water and vacuum dried to give crude ethyl 4-amino-3-bromobenzoate (15.0 g) as red-pink crystals. The obtained crystals were dissolved in ethyl acetate (60 mL), and 4 M hydrogen chloride/ethyl acetate solution was added. The precipitated solid was collected by filtration, washed with a mixed solvent (1:1) of ethyl acetate-diethyl ether, and vacuum dried to give a mixture (8.99 g) of ethyl 4-aminobenzoate hydrochloride and ethyl 4-amino-3-bromobenzoate hydrochloride as colorless crystals. Successively, to a solution of the obtained mixture (1.00 g) in pyridine (12 mL) were added acetic anhydride (0.69 mL, 7.13 mmol) and 4-dimethylaminopyridine (catalytic amount) with stirring at room temperature, and the mixture was stirred overnight at the same temperature. The reaction solution was concentrated under reduced pressure, brine was added to the residue, and the mixture was extracted with ethyl acetate. The extract was dried over anhydrous sodium sulfate, and concentrated under reduced pressure. The obtained residue was purified by silica gel chromatography (hexane/ethyl acetate=9/1-hexane/ethyl acetate=1/1) to give the title compound (758 mg, yield 40%, 3 steps) as colorless crystals.

후처리

  1. stirringThe reaction mixture was stirred at room temperature for 2 hr
  2. filtrationThe precipitated solid was collected by filtration
  3. washwashed with cold water and vacuum
  4. customdried

출처 및 근거

ORD 기록
ord-086631808e7946b595bae8ce31c01c5a
출처 데이터셋
uspto-grants-2010_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07786165B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트