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

Hydrochloric Acid → 4-Methoxy-3-(4,4,4-trifluoro-butoxy)-benzoic acid

HRID 1158473
노트
인쇄 미리보기

반응식

HRID 1158473 반응식
C([O:3][C:4](=[O:21])[C:5]1[CH:10]=[CH:9][C:8]([O:11][CH3:12])=[C:7]([O:13][CH2:14][CH2:15][CH2:16][C:17]([F:20])([F:19])[F:18])[CH:6]=1)C.[OH-].[Na+].Cl>C1COCC1>[CH3:12][O:11][C:8]1[CH:9]=[CH:10][C:5]([C:4]([OH:21])=[O:3])=[CH:6][C:7]=1[O:13][CH2:14][CH2:15][CH2:16][C:17]([F:18])([F:20])[F:19]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 313Hydrochloric AcidHCID 14798Sodium HydroxideHCID 686174804-Methoxy-3-(4,4,4-trifluoro-butoxy)-benzoic acid ethyl ester

생성물 1

HCID 595123504-Methoxy-3-(4,4,4-trifluoro-butoxy)-benzoic acid

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매

반응 조건

온도
60 °C

실험 절차

A mixture of 4-methoxy-3-(4,4,4-trifluoro-butoxy)-benzoic acid ethyl ester (0.93 g, 3.04 mmol) in THF (3 mL) and 2N NaOH (2.28 mL, 4.55 mmol) is heated with stirring at 60° C. overnight. After cooling, ice water is added and the pH is adjusted to 1 by addition of HCl 37% to form a white precipitate which is filtered off. The title compound is obtained after drying as white solid. TLC, Rf (hexane/AcOEt 1:1)=0.17. MS: 277.0 [M−H]+. tR (HPLC, Nucleosil C18HD column, 20-100% CH3CN/H2O/6 min, 100% CH3CN/2 min, CH3CN and H2O containing 0.1% TFA, flow: 1 mL/min): 3.90 min. 1H-NMR (CDCl3): δ 1.98 (m, 2H), 2.45 (m, 2H), 3.85 (s, 3H), 4.08 (m, 2H), 7.08 (dd, 1H), 7.46 (d, 1H), 7.60 (dd, 1H), 12.7 (s, br, 1H) ppm.

후처리

  1. temperatureis heated
  2. temperatureAfter cooling
  3. customto form a white precipitate which
  4. filtrationis filtered off

출처 및 근거

ORD 기록
ord-7b0e5155e6004991a847299b1ee1e565
출처 데이터셋
uspto-grants-2010_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07807709B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트