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

Hydrochloric Acid → N-[4-(1,3-benzodioxol-5-yl)-3-(2-{[5-(methylsulfonyl)-2-pyrimidinyl]oxy}ethoxy)-1H-pyrazol-5-yl]4-(tert-butyl)benzenesulfonamide

HRID 1062766
노트
인쇄 미리보기

반응식

HRID 1062766 반응식
[H-].[Na+].[O:3]1[C:7]2[CH:8]=[CH:9][C:10]([C:12]3[C:13]([O:31][CH2:32][CH2:33][OH:34])=[N:14][NH:15][C:16]=3[NH:17][S:18]([C:21]3[CH:26]=[CH:25][C:24]([C:27]([CH3:30])([CH3:29])[CH3:28])=[CH:23][CH:22]=3)(=[O:20])=[O:19])=[CH:11][C:6]=2[O:5][CH2:4]1.Cl[C:36]1[N:41]=[CH:40][C:39]([S:42]([CH3:45])(=[O:44])=[O:43])=[CH:38][N:37]=1.Cl>O1CCCC1.C(OCC)(=O)C.CCOCC.CC(N(C)C)=O>[O:3]1[C:7]2[CH:8]=[CH:9][C:10]([C:12]3[C:13]([O:31][CH2:32][CH2:33][O:34][C:36]4[N:41]=[CH:40][C:39]([S:42]([CH3:45])(=[O:44])=[O:43])=[CH:38][N:37]=4)=[N:14][NH:15][C:16]=3[NH:17][S:18]([C:21]3[CH:26]=[CH:25][C:24]([C:27]([CH3:30])([CH3:28])[CH3:29])=[CH:23][CH:22]=3)(=[O:20])=[O:19])=[CH:11][C:6]=2[O:5][CH2:4]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

9

반응물 4

HCID 313Hydrochloric AcidHCID 24758Sodium hydrideHCID 156534822-Chloro-5-methanesulfonylpyrimidine2회HCID 22281936N-[4-(1,3-benzodioxol-5-yl)-3-(2-hydroxyethoxy)-1H-pyrazol-5-yl]4-(tert-butyl)benzenesulfonamide

생성물 1

HCID 9851955N-[4-(1,3-benzodioxol-5-yl)-3-(2-{[5-(methylsulfonyl)-2-pyrimidinyl]oxy}ethoxy)-1H-pyrazol-5-yl]4-(tert-butyl)benzenesulfonamide

시약·촉매·용매 4

HCID 3283Diethyl Ether용매HCID 8028Tetrahydrofuran용매3회HCID 8857Ethyl Acetate용매HCID 31374Dimethylacetamide용매

실험 절차

Sodium hydride (60% dispersion in oil, 20 mg) was added at 0° C. under an atmosphere of nitrogen, to a solution of N-[4-(1,3-benzodioxol-5-yl)-3-(2-hydroxyethoxy)-1H-pyrazol-5-yl]-4-(tert-butyl)benzenesulfonamide (Example 79) (50 mg) in a mixture of anhydrous tetrahydrofuran (3 ml) and anhydrous dimethylacetamide (0.8 ml). The reaction mixture was stirred for 10 minutes at 0° C. before a solution of 2-chloro-5-(methylsulfonyl)pyrimidine (42 mg) in anhydrous tetrahydrofuran (1 ml) was added. The reaction mixture was slowly allowed to room temperature and after 4 h, a solution of 2-chloro-5-(methylsulfonyl)pyrimidine (22 mg) in anhydrous tetrahydrofurane (0.5 ml) was added. The reaction was stirred overnight and then was poured into ether (10 ml) and an aqueous solution of HCl (1N, 10 ml). The remaining insoluble material was dissolved by the addition of ethyl acetate. The organic fraction was washed with water (twice 30 ml), brine (50 ml), dried on sodium sulfate and concentrated under reduced pressure. The yellow oil was purified by HPLC:

후처리

  1. additionwas added
  2. washThe organic fraction was washed with water (twice 30 ml), brine (50 ml)
  3. customdried on sodium sulfate
  4. concentrationconcentrated under reduced pressure
  5. customThe yellow oil was purified by HPLC

출처 및 근거

ORD 기록
ord-0167a98b913d40cb90b70612d79040e2
출처 데이터셋
uspto-grants-2005_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06962923B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트