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

S-methyl chlorothioformate → (3-chloro-pyrazin-2-ylmethyl)-thiocarbamic acid S-methyl ester

HRID 1992426
노트
인쇄 미리보기

반응식

HRID 1992426 반응식
Cl.[Cl:2][C:3]1[C:4]([CH2:9][NH2:10])=[N:5][CH:6]=[CH:7][N:8]=1.C(N(CC)C(C)C)(C)C.[CH3:20][S:21][C:22](=[O:24])Cl>ClCCl>[CH3:20][S:21][C:22](=[O:24])[NH:10][CH2:9][C:4]1[C:3]([Cl:2])=[N:8][CH:7]=[CH:6][N:5]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 17772S-methyl chlorothioformateHCID 81531DiisopropylethylamineHCID 42614233(3-Chloropyrazin-2-yl)methanamine hydrochloride

생성물 1

HCID 59130384(3-chloro-pyrazin-2-ylmethyl)-thiocarbamic acid S-methyl ester

시약·촉매·용매 1

HCID 6344Dichloromethane용매2회

실험 절차

To a suspension of C-(3-chloro-pyrazin-2-yl)-methylamine hydrochloride salt (5.13 g, 0.0285 mol) in dichloromethane (60 mL) were added N,N-diisopropylethylamine (15 mL, 0.085 mol) and carbonochloridothioic acid S-methyl ester (3.15 g, 0.0285 mol) at 0° C. After 5 min, the mixture was warmed to rt and kept at rt overnight. The mixture was diluted with dichloromethane (50 mL), washed with water (30 mL), sat. aq. NaHCO3 (2×30 mL), brine (30 mL), and dried over anhydrous sodium sulfate. The crude product was purified by silica gel chromatography (Hex:EtOAc=70:30→50:50) to give the title compound as a light-yellow solid; 1H NMR (CDCl3, 400 MHz) δ 2.41 (s, 3H), 4.76 (d, J=4.6 Hz, 2H), 6.67 (br s, 1H), 8.34 (d, J=2.5 Hz, 1H), 8.48 (d, J=2.5 Hz, 1H).

후처리

  1. waitkept at rt overnight
  2. washwashed with water (30 mL), sat. aq. NaHCO3 (2×30 mL), brine (30 mL)
  3. dry with materialdried over anhydrous sodium sulfate
  4. customThe crude product was purified by silica gel chromatography (Hex:EtOAc=70:30→50:50)

출처 및 근거

ORD 기록
ord-20ced9d51c7f46f383f0aada00e8d9cd
출처 데이터셋
uspto-grants-2010_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07648987B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트