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

Hydrochloric Acid → 3-(3-{2,2,2-Trifluoro-1-[1-(4-fluorophenyl)-1H-benzotriazol-5-yl]-1-hydroxyethyl}indol-1-yl)propane-1,2-diol

HRID 244477
노트
인쇄 미리보기

반응식

HRID 244477 반응식
Cl.CC1(C)[O:7][CH:6]([CH2:8][N:9]2[C:17]3[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=3)[C:11]([C:18]([C:24]3[CH:39]=[CH:38][C:27]4[N:28]([C:31]5[CH:36]=[CH:35][C:34]([F:37])=[CH:33][CH:32]=5)[N:29]=[N:30][C:26]=4[CH:25]=3)([OH:23])[C:19]([F:22])([F:21])[F:20])=[CH:10]2)[CH2:5][O:4]1>C(#N)C>[F:21][C:19]([F:20])([F:22])[C:18]([C:11]1[C:12]2[C:17](=[CH:16][CH:15]=[CH:14][CH:13]=2)[N:9]([CH2:8][CH:6]([OH:7])[CH2:5][OH:4])[CH:10]=1)([C:24]1[CH:39]=[CH:38][C:27]2[N:28]([C:31]3[CH:32]=[CH:33][C:34]([F:37])=[CH:35][CH:36]=3)[N:29]=[N:30][C:26]=2[CH:25]=1)[OH:23]
참가 물질실험 절차출처 및 근거반응 노트

참가 물질

4

반응물 2

HCID 313Hydrochloric AcidHCID 594372331-[1-(2,2-Dimethyl-1,3-dioxolan-4-ylmethyl)-1H-indol-3-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)-1H-benzotriazol-5-yl]ethanol

생성물 1

HCID 594372473-(3-{2,2,2-Trifluoro-1-[1-(4-fluorophenyl)-1H-benzotriazol-5-yl]-1-hydroxyethyl}indol-1-yl)propane-1,2-diol

시약·촉매·용매 1

HCID 6342Acetonitrile용매

실험 절차

At room temperature, approximately 200 μL of concentrated HCl was added to 1-[1-(2,2-dimethyl-1,3-dioxolan-4-ylmethyl)-1H-indol-3-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)-1H-benzotriazol-5-yl]ethanol (100 mg) in aqueous acetonitrile. After 90 minutes, LCMS showed one peak MS m/z 501 (MH+) for the desired product. The mixture was then concentrated and the residue diluted with sodium bicarbonate and extracted with ethyl acetate. The combined organic extracts were washed with water, dried over anhydrous sodium sulfate, and concentrated in vacuo to afford 95 mg of the title compound as an off-white solid.

출처 및 근거

ORD 기록
ord-75565fcc203a4c49b6b5ab4b12728384
출처 데이터셋
uspto-grants-2014_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08658637B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차출처 및 근거반응 노트