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

Triethylamine → 5'-((1H-1,2,4-triazol-1-yl)methyl)-2'-cyanobiphenyl-4-yl dimethylsulfamate

HRID 418418
노트
인쇄 미리보기

반응식

HRID 418418 반응식
[N:1]1([CH2:6][C:7]2[CH:12]=[C:11]([C:13]3[CH:18]=[CH:17][C:16]([OH:19])=[CH:15][CH:14]=3)[C:10]([C:20]#[N:21])=[CH:9][CH:8]=2)[CH:5]=[N:4][CH:3]=[N:2]1.CCN(CC)CC.[CH3:29][N:30]([CH3:35])[S:31](Cl)(=[O:33])=[O:32]>C(Cl)Cl>[CH3:29][N:30]([CH3:35])[S:31](=[O:33])(=[O:32])[O:19][C:16]1[CH:17]=[CH:18][C:13]([C:11]2[CH:12]=[C:7]([CH2:6][N:1]3[CH:5]=[N:4][CH:3]=[N:2]3)[CH:8]=[CH:9][C:10]=2[C:20]#[N:21])=[CH:14][CH:15]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 8471TriethylamineHCID 83372Dimethylsulphamoyl chlorideHCID 235857225-((1H-1,2,4-triazol-1-yl)methyl)-4'-hydroxybiphenyl-2-carbonitrile

생성물 1

HCID 451409545'-((1H-1,2,4-triazol-1-yl)methyl)-2'-cyanobiphenyl-4-yl dimethylsulfamate

시약·촉매·용매 1

HCID 6344Dichloromethane용매2회

실험 절차

To a white suspension of 19 (0.075 g, 0.271 mmol) and NEt3 (0.292 mL, 2.71 mmol) in anhydrous CH2Cl2 (2 mL) at 0° C. under an inert atmosphere was added to a colourless solution of N,N-dimethylsulfamoyl chloride (0.408 mL, 3.80 mmol) in anhydrous CHACl2 (3 mL). The resulting white suspension was left to stir under an inert atmosphere at room temperature for 70 h forming a clear orange/brown solution. The reaction mixture was diluted in CH2Cl2 (30 mL) and washed with distilled H2O (30 mL×3) and brine (30 mL). The organic fraction was separated, dried (MgSO4), filtered and solvent removed in vacuo to leave yellow residues. Column chromatography (CH2Cl2/acetone 75:25) eluted 21 as a viscous yellow oil (0.093 g, 90%); 1H NMR δH (270 MHz, CDCl3) 3.00 (s, 6H), 5.44 (s, 2H), 7.28-7.33 (m, 2H), 7.39 (d, J=8.7 Hz, 2H), 7.53 (d, J=8.7 Hz, 2H), 7.76 (d, J=7.9 Hz, 1H), 8.00 (s, 1H) and 8.18 (s, 1H); LCMS (APCI−) m/z (rel intensity) 382 (100, [M−H]+; HRMS (ES+) m/z calcd. for C18H18N5O3S [M+H]+: 384.1125, found 384.1143.

후처리

  1. waitThe resulting white suspension was left
  2. customforming a clear orange/brown solution
  3. washwashed with distilled H2O (30 mL×3) and brine (30 mL)
  4. customThe organic fraction was separated
  5. dry with materialdried (MgSO4)
  6. filtrationfiltered
  7. customsolvent removed in vacuo
  8. customto leave yellow residues
  9. washColumn chromatography (CH2Cl2/acetone 75:25) eluted 21 as a viscous yellow oil (0.093 g, 90%)

출처 및 근거

ORD 기록
ord-20cef5a05a8948d9a2f959b1286ff399
출처 데이터셋
uspto-grants-2012_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08093279B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트