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

Lithium hydroxide, monohydrate → 2-{4-[((3R,5S)-4-{[(1,1-Dimethylethyl)oxy]carbonyl}-3,5-dimethyl-1-piperazinyl)methyl]phenyl}-2-methylpropanoic Acid

HRID 43355
노트
인쇄 미리보기

반응식

HRID 43355 반응식
[CH3:1][C:2]([C:8]1[CH:13]=[CH:12][C:11]([CH2:14][N:15]2[CH2:20][C@H:19]([CH3:21])[N:18]([C:22]([O:24][C:25]([CH3:28])([CH3:27])[CH3:26])=[O:23])[C@H:17]([CH3:29])[CH2:16]2)=[CH:10][CH:9]=1)([CH3:7])[C:3]([O:5]C)=[O:4].O.[OH-].[Li+]>O.O1CCOCC1>[CH3:28][C:25]([O:24][C:22]([N:18]1[C@@H:17]([CH3:29])[CH2:16][N:15]([CH2:14][C:11]2[CH:12]=[CH:13][C:8]([C:2]([CH3:1])([CH3:7])[C:3]([OH:5])=[O:4])=[CH:9][CH:10]=2)[CH2:20][C@H:19]1[CH3:21])=[O:23])([CH3:26])[CH3:27]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 2

HCID 168937Lithium hydroxide, monohydrateHCID 252242061,1-Dimethylethyl (2R,6S)-4-({4-[1,1-dimethyl-2-(methyloxy)-2-oxoethyl]phenyl}methyl)-2,6-dimethyl-1-piperazinecarboxylate

생성물 1

HCID 252242082-{4-[((3R,5S)-4-{[(1,1-Dimethylethyl)oxy]carbonyl}-3,5-dimethyl-1-piperazinyl)methyl]phenyl}-2-methylpropanoic Acid수율 82.7%

시약·촉매·용매 2

HCID 962Water용매
HCID 31275
1,4-Dioxane
용매

실험 절차

A mixture of D47 (395 mg, 0.978 mmol) and lithium hydroxide monohydrate (82 mg, 1.95 mmol) in water (5 ml) and 1,4-dioxane (10 ml) was stirred at room temperature for 3 days. The solvents were removed in vacuo and the residue dissolved in water. The solution was washed with ether, acidified to pH4 with 1M HCl then extracted with DCM (×2). The combined organics were dried (Na2SO4) and concentrated in vacuo to give the title compound as a yellow foam (316 mg). δH (CDCl3, 250 MHz) 7.35 (4H, m), 4.11 (2H, br), 3.71 (2H, br), 2.67 (2H, br), 2.17 (2H, br), 1.61 (6H, s), 1.46 (9H, s), 1.33 (6H, br d). MS (ES): MH+ 391, (M−H+) 389.

후처리

  1. customThe solvents were removed in vacuo
  2. dissolutionthe residue dissolved in water
  3. washThe solution was washed with ether
  4. extractionthen extracted with DCM (×2)
  5. dry with materialThe combined organics were dried (Na2SO4)
  6. concentrationconcentrated in vacuo

출처 및 근거

ORD 기록
ord-52225b07782d452db6fd71c6a69065ae
출처 데이터셋
uspto-grants-2013_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08536182B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트