3,5-Bis(trifluoromethyl)phenyl isocyanate → 2-[2-[3-[3,5-Bis(trifluoromethyl)phenyl]ureido]-4-trifluoromethylphenoxy]-5-(1,1-dimethylpropyl)benzenesulfonic acid, ammonium salt

HRID 129878노트

반응식

HRID 129878 반응식
[NH2:1][C:2]1[CH:23]=[C:22]([C:24]([F:27])([F:26])[F:25])[CH:21]=[CH:20][C:3]=1[O:4][C:5]1[CH:10]=[CH:9][C:8]([C:11]([CH3:15])([CH3:14])[CH2:12][CH3:13])=[CH:7][C:6]=1[S:16]([OH:19])(=[O:18])=[O:17].[F:28][C:29]([F:44])([F:43])[C:30]1[CH:31]=[C:32]([N:40]=[C:41]=[O:42])[CH:33]=[C:34]([C:36]([F:39])([F:38])[F:37])[CH:35]=1>N1C=CC=CC=1>[NH4+:1].[F:28][C:29]([F:43])([F:44])[C:30]1[CH:31]=[C:32]([NH:40][C:41](=[O:42])[NH:1][C:2]2[CH:23]=[C:22]([C:24]([F:27])([F:25])[F:26])[CH:21]=[CH:20][C:3]=2[O:4][C:5]2[CH:10]=[CH:9][C:8]([C:11]([CH3:14])([CH3:15])[CH2:12][CH3:13])=[CH:7][C:6]=2[S:16]([O-:19])(=[O:18])=[O:17])[CH:33]=[C:34]([C:36]([F:39])([F:37])[F:38])[CH:35]=1

참가 물질

4

반응물 2

HCID 27333143,5-Bis(trifluoromethyl)phenyl isocyanateHCID 99091322-(2-Amino-4-trifluoromethylphenoxy)-5-(1,1-dimethylpropyl)benzenesulfonic acid

생성물 1

HCID 1317192132-[2-[3-[3,5-Bis(trifluoromethyl)phenyl]ureido]-4-trifluoromethylphenoxy]-5-(1,1-dimethylpropyl)benzenesulfonic acid, ammonium salt

시약·촉매·용매 1

HCID 1049Pyridine용매

실험 절차

2-(2-Amino-4-trifluoromethylphenoxy)-5-(1,1-dimethylpropyl)benzenesulfonic acid (260 mg, 0.0006 mol) and 3,5-bis(trifluoromethyl)phenyl isocyanate (130.9 ml, 0.0005 mol) were mixed in pyridine (5 ml), under argon, for sixteen hours at room temperature. The solvent was evaporated and the residue flash chromatographed (silica gel, methylene chloride/isopropanol/ammonium hydroxide), dried and evaporated to give the title compound. 1H NMR (250 MHz, DMSO) ∂9.20 (s, 1H), 8.90 (s, 1H), 7.90 (s, 1H), 7.50 (s, 2H), 7.25 (d, 1H), 7.05 (s, 1H), 6.80-6.30 (m, 4H), 1.0 (q, 3H), 0.065 (s, 6H), 0.045 (d, 2H).

후처리

  1. customThe solvent was evaporated
  2. customthe residue flash chromatographed (silica gel, methylene chloride/isopropanol/ammonium hydroxide)
  3. customdried
  4. customevaporated

출처 및 근거

ORD 기록
ord-d9f93a8a22684b8caca1c3ff7498a6a4
출처 데이터셋
uspto-grants-1995_11
특허 번호
US05470882

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