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

Acetic Acid → HCID 73052761, 화합물

HRID 1048725
노트
인쇄 미리보기

반응식

HRID 1048725 반응식
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:6]([C:8]([C:21]#[C:22][C:23]3[CH:28]=[CH:27][CH:26]=[C:25]([O:29][C:30]([F:33])([F:32])[F:31])[CH:24]=3)=[C:9]([CH2:11][S:12]([CH2:15][C:16]([O:18]CC)=[O:17])(=[O:14])=[O:13])[N:10]=2)[CH:7]=1.[OH-].[Na+].O.C(O)(=O)C>C(O)C>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:6]([C:8]([C:21]#[C:22][C:23]3[CH:28]=[CH:27][CH:26]=[C:25]([O:29][C:30]([F:31])([F:32])[F:33])[CH:24]=3)=[C:9]([CH2:11][S:12]([CH2:15][C:16]([OH:18])=[O:17])(=[O:14])=[O:13])[N:10]=2)[CH:7]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 176Acetic AcidHCID 962WaterHCID 14798Sodium HydroxideHCID 73052604HCID 73052604, 화합물

생성물 1

HCID 73052761HCID 73052761, 화합물수율 80.4%

시약·촉매·용매 1

HCID 702Ethanol용매

실험 절차

100 mg (0.200 mmol) of ethyl 2-((6-chloro-3-((3-(trifluoromethoxy)phenyl)-ethynyl)imidazo[1,2-a]pyridin-2-yl)methylsulfonyl)acetate were dissolved in 2 ml of ethanol before adding 0.060 ml (0.599 mmol) of a 32% sodium hydroxide aqueous solution. The mixture was stirred at r.t. for 16 h. The solution was poured into 10 ml of water, acidified to an acid pH with acetic acid, extracted with 2×5 ml of dichloromethane, the combined organic phases were dried on Na2SO4 which was then removed by filtration and the obtained filtrate was concentrated in vacuo. 76 mg (yield=80%) of 2-((6-chloro-3-((3-(trifluoromethoxy)phenyl)ethynyl)-imidazo[1,2-a]pyridin-2-yl)methylsulfonyl)acetic acid were obtained as a yellow solid. LC-MS: m/z=473 (MH+) UV purity at 254 nm=99%. 1H NMR (300 MHz, DMSO) δ 14.72-12.20 (m, 1H), 9.00 (d, J=1.2 Hz, 1H), 7.88-7.76 (m, 3H), 7.62-7.45 (m, 3H), 4.96 (s, 2H), 4.42 (s, 2H).

후처리

  1. extractionextracted with 2×5 ml of dichloromethane
  2. customthe combined organic phases were dried on Na2SO4 which
  3. customwas then removed by filtration
  4. concentrationthe obtained filtrate was concentrated in vacuo

출처 및 근거

ORD 기록
ord-5af1a2f52cba4b16b7600449d2c42d5c
출처 데이터셋
uspto-grants-2016_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09381191B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트