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

Bromide ion → Formate

HRID 572354
노트
인쇄 미리보기

반응식

HRID 572354 반응식
[C:1]([N:4]1[C:13]2[C:8](=[CH:9][C:10]([C:14]3[CH:22]=[CH:21][C:17]([C:18]([OH:20])=[O:19])=[CH:16][CH:15]=3)=[CH:11][CH:12]=2)[C@H:7]([NH:23][C:24]2[CH:29]=[CH:28][C:27]([Cl:30])=[CH:26][CH:25]=2)[CH2:6][C@@H:5]1[CH3:31])(=[O:3])[CH3:2].[C:32]([O-])([O-:34])=[O:33].[K+].[K+].Br[CH2:39][CH2:40][CH2:41][N+:42]([CH3:45])([CH3:44])[CH3:43].[Br-]>CN(C=O)C>[C:1]([N:4]1[C:13]2[C:8](=[CH:9][C:10]([C:14]3[CH:22]=[CH:21][C:17]([C:18]([O:20][CH2:39][CH2:40][CH2:41][N+:42]([CH3:45])([CH3:44])[CH3:43])=[O:19])=[CH:16][CH:15]=3)=[CH:11][CH:12]=2)[C@H:7]([NH:23][C:24]2[CH:25]=[CH:26][C:27]([Cl:30])=[CH:28][CH:29]=2)[CH2:6][C@@H:5]1[CH3:31])(=[O:3])[CH3:2].[CH:32]([O-:34])=[O:33]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 259Bromide ionHCID 11430Potassium CarbonateHCID 1511463-bromo-N,N,N-trimethyl-1-propanaminiumHCID 529122224-[(2s,4r)-1-Acetyl-4-[(4-Chlorophenyl)amino]-2-Methyl-1,2,3,4-Tetrahydroquinolin-6-Yl]benzoic Acid

생성물 2

HCID 283Formate수율 19%
HCID 70981915
3-{[(4-{(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydro-6-quinolinyl}phenyl)carbonyl]oxy}-N,N,N-trimethyl-1-propanaminium

시약·촉매·용매 1

HCID 6228Dimethylformamide용매

실험 절차

4-{(2S,4R)-1-Acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydro-6-quinolinyl}benzoic acid (for a preparation see Intermediate 18) (150 mg, 0.345 mmol) was dissolved in DMF (3 mL) and K2CO3 (47.7 mg, 0.345 mmol) then 3-bromo-N,N,N-trimethyl-1-propanaminium, bromide (90 mg, 0.345 mmol) were added. The resulting mixture was stirred at room temperature overnight, whereupon the reaction mixture was concentrated in vacuo and purified by MDAP (formate) to give 3-{[(4-{(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydro-6-quinolinyl}phenyl)carbonyl]oxy}-N,N,N-trimethyl-1-propanaminium, formate (41 mg, 0.064 mmol, 19% yield) as a yellow oil. LCMS (Formate, 2 min), Rt=0.86 min, MH+=534.

후처리

  1. concentrationwas concentrated in vacuo
  2. custompurified by MDAP (formate)

출처 및 근거

ORD 기록
ord-bdde8edf6b62448fbbb5666993dc638d
출처 데이터셋
uspto-grants-2015_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09029395B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트