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

Sodium Hydroxide → HCID 59631853, 화합물

HRID 2369065
노트
인쇄 미리보기

반응식

HRID 2369065 반응식
[OH-].[Na+].C[O:4][C:5]([C:7]1[CH:11]=[C:10]([C:12]2[S:13][C:14]([C:17]3[CH:22]=[CH:21][CH:20]=[C:19]([S:23]([CH3:26])(=[O:25])=[O:24])[CH:18]=3)=[CH:15][CH:16]=2)[N:9]([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=2[Cl:33])[N:8]=1)=[O:6]>CO>[Cl:33][C:28]1[CH:29]=[CH:30][CH:31]=[CH:32][C:27]=1[N:9]1[C:10]([C:12]2[S:13][C:14]([C:17]3[CH:22]=[CH:21][CH:20]=[C:19]([S:23]([CH3:26])(=[O:24])=[O:25])[CH:18]=3)=[CH:15][CH:16]=2)=[CH:11][C:7]([C:5]([OH:6])=[O:4])=[N:8]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

4

반응물 2

HCID 14798Sodium HydroxideHCID 59631939HCID 59631939, 화합물

생성물 1

HCID 59631853HCID 59631853, 화합물수율 86%

시약·촉매·용매 1

HCID 887Methanol용매

실험 절차

Aqueous NaOH solution (2N, 80 mL) was added to a suspension of 1-(2-chloro-phenyl)-5-[5-(3-methanesulfonyl-phenyl)-thiophen-2-yl]-1H-pyrazole-3-carboxylic acid methyl ester (5 g, 10.57 mmol) in MeOH (80 mL), and the resulting mixture was stirred at reflux for 10 h. The volatiles was removed in vacuo, the residual solution was acidified with aqueous HCl (6N) to pH 2, extracted with EtOAc. The combined extracts were washed with water and brine, dried over Na2SO4, and evaporated in vacuo. The crude product was recrystallized from DCM/hexane to give the title compound as a white solid (4.1 g, 86%). 1H-NMR (DMSO-d6): δ 12.73 (s, 1H), 7.98 (m, 1H), 7.83 (m, 2H), 7.77 (m, 2H), 7.71 (m, 1H), 7.67 (d, 1H), 7.62 (m, 2H), 7.34 (s, 1H), 7.19 (s, 1H), 3.26 (s, 3H). MS(ES): 459 [M+H]+.

후처리

  1. temperatureat reflux for 10 h
  2. customThe volatiles was removed in vacuo
  3. extractionextracted with EtOAc
  4. washThe combined extracts were washed with water and brine
  5. dry with materialdried over Na2SO4
  6. customevaporated in vacuo
  7. customThe crude product was recrystallized from DCM/hexane

출처 및 근거

ORD 기록
ord-6c55271f020646eba5b77ae767a29687
출처 데이터셋
uspto-grants-2014_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08703805B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트