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

Ethanol → HCID 22170148, 화합물

HRID 1823266
노트
인쇄 미리보기

반응식

HRID 1823266 반응식
C[O:2][C:3]([C:5]1[C:6]([C:11]2[C:12]([Cl:17])=[N:13][CH:14]=[CH:15][CH:16]=2)=[N:7][O:8][C:9]=1[CH3:10])=[O:4].[OH-].[Na+].C(O)C>O1CCCC1>[Cl:17][C:12]1[C:11]([C:6]2[C:5]([C:3]([OH:4])=[O:2])=[C:9]([CH3:10])[O:8][N:7]=2)=[CH:16][CH:15]=[CH:14][N:13]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 702EthanolHCID 14798Sodium HydroxideHCID 574254353-(2-Chloro-pyridin-3-yl)-5-methyl-isoxazole-4-carboxylic acid methyl ester

생성물 1

HCID 22170148HCID 22170148, 화합물

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매

실험 절차

Combine 3-(2-chloro-pyridin-3-yl)-5-methyl-isoxazole-4-carboxylic acid methyl ester (1.90 g, 0.0075 mol) with aqueous sodium hydroxide (2N, 15.0 mL, 0.03 mol), ethanol (3 mL), and tetrahydrofuran (3 mL). Stir for 4 hours at ambient temperature. Remove the organic solvents in vacuo and adjust the aqueous mixture to approx. pH 3.0 with aqueous hydrochloric acid. Extract with ethyl acetate and dry the combined extracts over sodium sulfate and concentrate in vacuo. Eluted over silica gel with methanol/dichloromethane allowing for isolation of the desired isoxazole acid as an off white solid (0.98 g, 55%). MS(ES): (M+1)+ 238.97, 240.97 m/z.

후처리

  1. customRemove the organic solvents in vacuo
  2. extractionExtract with ethyl acetate
  3. dry with materialdry the combined extracts over sodium sulfate
  4. concentrationconcentrate in vacuo
  5. washEluted over silica gel with methanol/dichloromethane allowing for isolation of the desired isoxazole acid as an off white solid (0.98 g, 55%)

출처 및 근거

ORD 기록
ord-81ab69631f1748b4abd9ae8f6ef46944
출처 데이터셋
uspto-grants-2006_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07037921B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트