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

Potassium Phosphate, Tribasic → 2-(3-(2-fluorophenyl)-1-tosyl-1H-indol-5-yl)-5-(methylsulfonyl)-1,3,4-thiadiazole

HRID 634126
노트
인쇄 미리보기

반응식

HRID 634126 반응식
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1B1OC(C)(C)C(C)(C)O1.I[C:18]1[C:26]2[C:21](=[CH:22][CH:23]=[C:24]([C:27]3[S:28][C:29]([S:32]([CH3:35])(=[O:34])=[O:33])=[N:30][N:31]=3)[CH:25]=2)[N:20]([S:36]([C:39]2[CH:45]=[CH:44][C:42]([CH3:43])=[CH:41][CH:40]=2)(=[O:38])=[O:37])[CH:19]=1.P([O-])([O-])([O-])=O.[K+].[K+].[K+].CC(N)CC1C=CC=CC=1.OP(O)(O)=O>CC(O)C.O>[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:18]1[C:26]2[C:21](=[CH:22][CH:23]=[C:24]([C:27]3[S:28][C:29]([S:32]([CH3:35])(=[O:34])=[O:33])=[N:30][N:31]=3)[CH:25]=2)[N:20]([S:36]([C:39]2[CH:45]=[CH:44][C:42]([CH3:43])=[CH:41][CH:40]=2)(=[O:38])=[O:37])[CH:19]=1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 62657Potassium Phosphate, TribasicHCID 62885Benzeneethanamine, alpha-methyl-, phosphate (1:1)HCID 121597222-(2-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneHCID 683282122-(3-iodo-1-tosyl-1H-indol-5-yl)-5-(methylsulfonyl)-1,3,4-thiadiazole

생성물 1

HCID 683279772-(3-(2-fluorophenyl)-1-tosyl-1H-indol-5-yl)-5-(methylsulfonyl)-1,3,4-thiadiazole
수율 44.9%

시약·촉매·용매 1

HCID 21889133Propan-2-ol--water (1/1)용매

반응 조건

온도
100 °C

실험 절차

To a mixture of 2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (0.639 g, 2.88 mmol), 2-(3-iodo-1-tosyl-1H-indol-5-yl)-5-(methylsulfonyl)-1,3,4-thiadiazole (1.150 g, 2.056 mmol) in 70% IPA/H2O (18 mL) was added potassium phosphate (1.309 g, 6.17 mmol), and AmPhos (0.073 g, 0.103 mmol). The reaction was heated at 100° C. for 5 min. The aq. layer was removed and the organic layer was evaporated. The residue was purified with prep HPLC to give 2-(3-(2-fluorophenyl)-1-tosyl-1H-indol-5-yl)-5-(methylsulfonyl)-1,3,4-thiadiazole (0.487 g, 0.923 mmol, 44.9%) as a light brown solid. MS (ESI, pos. ion) m/z: 528 (M+1).

후처리

  1. customThe aq. layer was removed
  2. customthe organic layer was evaporated
  3. customThe residue was purified with prep HPLC

출처 및 근거

ORD 기록
ord-d72190f2ec744735aa9a2783876907b4
출처 데이터셋
uspto-grants-2016_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09321756B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트