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

Hydrochloric Acid → 3-{4-[4-(4,4-dihydroxy-piperidin-1-ylmethyl)-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-2-methoxy-phenyl}-4H-1,2,4-oxadiazol-5-one

HRID 2263425
노트
인쇄 미리보기

반응식

HRID 2263425 반응식
[O:1]1[C:5]2([CH2:10][CH2:9][N:8]([CH2:11][C:12]3[N:13]=[C:14]([C:33]4[CH:38]=[CH:37][C:36]([C:39]([F:42])([F:41])[F:40])=[CH:35][CH:34]=4)[S:15][C:16]=3[CH2:17][O:18][C:19]3[CH:24]=[CH:23][C:22]([C:25]4[NH:29][C:28](=[O:30])[O:27][N:26]=4)=[C:21]([O:31][CH3:32])[CH:20]=3)[CH2:7][CH2:6]2)[O:4]CC1.Cl.C(=O)([O-])O.[Na+]>O1CCOCC1>[OH:1][C:5]1([OH:4])[CH2:6][CH2:7][N:8]([CH2:11][C:12]2[N:13]=[C:14]([C:33]3[CH:34]=[CH:35][C:36]([C:39]([F:40])([F:41])[F:42])=[CH:37][CH:38]=3)[S:15][C:16]=2[CH2:17][O:18][C:19]2[CH:24]=[CH:23][C:22]([C:25]3[NH:29][C:28](=[O:30])[O:27][N:26]=3)=[C:21]([O:31][CH3:32])[CH:20]=2)[CH2:9][CH2:10]1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 313Hydrochloric AcidHCID 516892Sodium BicarbonateHCID 1361500263-{4-[4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-ylmethyl)-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-2-methoxy-phenyl}-4H-1,2,4-oxadiazol-5-one

생성물 1

HCID 1361500463-{4-[4-(4,4-dihydroxy-piperidin-1-ylmethyl)-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-2-methoxy-phenyl}-4H-1,2,4-oxadiazol-5-one수율 62.7%

시약·촉매·용매 1

HCID 312751,4-Dioxane용매

반응 조건

온도
50 °C

실험 절차

To a suspension of 10 mg of 3-{4-[4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-ylmethyl)-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-2-methoxy-phenyl}-4H-1,2,4-oxadiazol-5-one in 2 mL of dioxane was added 0.5 mL of a 6N aqueous solution of hydrochloric acid. The resulting mixture was heated to 50° C. for 2 h and then poured into a saturated aqueous solution of sodium hydrogencarbonate and extracted with ethyl acetate. The organic extracts were washed with water, dried over magnesium sulfate, filtered and concentrated under reduced pressure. The crude product was recrystallized in acetonitrile to give 6 mg of 3-{4-[4-(4,4-dihydroxy-piperidin-1-ylmethyl)-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-2-methoxy-phenyl}-4H-1,2,4-oxadiazol-5-one as yellowish solid.

후처리

  1. extractionextracted with ethyl acetate
  2. washThe organic extracts were washed with water
  3. dry with materialdried over magnesium sulfate
  4. filtrationfiltered
  5. concentrationconcentrated under reduced pressure
  6. customThe crude product was recrystallized in acetonitrile

출처 및 근거

ORD 기록
ord-374d833dd3e141ed835c7305320434af
출처 데이터셋
uspto-grants-2010_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07851493B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트