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

Phenylacetaldehyde → N-benzyl-2-(3-benzylisoxazol-5-yl)-4-methylthiazole-5-carboxamide

HRID 2381862
노트
인쇄 미리보기

반응식

HRID 2381862 반응식
[C:1]1([CH2:7][CH:8]=O)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Cl.[NH2:11][OH:12].[OH-].[Na+].CC1C=CC(S(NCl)(=O)=O)=CC=1.[CH2:27]([NH:34][C:35]([C:37]1[S:41][C:40]([C:42]#[CH:43])=[N:39][C:38]=1[CH3:44])=[O:36])[C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1>C(O)(C)(C)C.O.[Cu]I>[CH2:27]([NH:34][C:35]([C:37]1[S:41][C:40]([C:42]2[O:12][N:11]=[C:8]([CH2:7][C:1]3[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=3)[CH:43]=2)=[N:39][C:38]=1[CH3:44])=[O:36])[C:28]1[CH:29]=[CH:30][CH:31]=[CH:32][CH:33]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

9

반응물 5

HCID 998PhenylacetaldehydeHCID 14798Sodium HydroxideHCID 31388TosylchloramideHCID 443297Hydroxyamine hydrochlorideHCID 73213266N-benzyl-2-ethynyl-4-methylthiazole-5-carboxamide

생성물 1

HCID 24960062N-benzyl-2-(3-benzylisoxazol-5-yl)-4-methylthiazole-5-carboxamide수율 53%

시약·촉매·용매 3

HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)촉매HCID 962Water용매HCID 6386tert-Butanol용매

실험 절차

To a solution of 2-phenylacetaldehyde (0.05 mL, 0.44 mmol) in t-butanol (2.5 mL) and water (2.5 mL) was added hydroxylamine hydrochloride (0.03 g, 0.45 mmol) and sodium hydroxide (0.02 g, 0.50 mmol). The reaction mixture was stirred at ambient temperature for 3 hours, followed by the addition of chloramine T (0.14 g, 0.50 mmol), N-benzyl-2-ethynyl-4-methylthiazole-5-carboxamide (0.10 g, 0.39 mmol) and copper(I) iodide (0.01 g, 0.06 mmol). The reaction mixture was stirred for 18 hours at ambient temperature and extracted with ethyl acetate, washed with 10% ammonium chloride solution and brine. The organic solution was dried over anhydrous sodium sulfate, filtered, and concentrated in vacuo. The residue was purified by column chromatography to afford the title compound as a white solid (0.08 g, 53%): mp 103-104° C.; 1H NMR (300 MHz, CDCl3) δ 7.36-7.17 (m, 10H), 6.60 (s, 1H), 6.55 (t, J=5.6 Hz, 1H), 4.56 (d, J=5.6 Hz, 2H), 4.01 (s, 2H), 2.67 (s, 3H). 13C NMR (75 MHz, CDCl3) δ 164.2, 163.2, 161.1, 156.8, 152.8, 137.5, 136.5, 128.9, 128.8, 127.8, 127.2, 103.1, 44.3, 32.3, 17.3; MS (ES+) m/z 390.3 (M+1).

후처리

  1. stirringThe reaction mixture was stirred for 18 hours at ambient temperature
  2. extractionextracted with ethyl acetate
  3. washwashed with 10% ammonium chloride solution and brine
  4. dry with materialThe organic solution was dried over anhydrous sodium sulfate
  5. filtrationfiltered
  6. concentrationconcentrated in vacuo
  7. customThe residue was purified by column chromatography

출처 및 근거

ORD 기록
ord-5794c6b27a964f2db1028a679efcd335
출처 데이터셋
uspto-grants-2012_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08258160B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트