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

Diethyl Malonate → Diethyl {4-[((3S)-3-methyl-4-{[(phenylmethyl)oxy]carbonyl}-1-piperazinyl)methyl]phenyl}propanedioate

HRID 43341
노트
인쇄 미리보기

반응식

HRID 43341 반응식
Br[C:2]1[CH:7]=[CH:6][C:5]([CH2:8][N:9]2[CH2:14][CH2:13][N:12]([C:15]([O:17][CH2:18][C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=3)=[O:16])[C@@H:11]([CH3:25])[CH2:10]2)=[CH:4][CH:3]=1.[C:26]([O:34][CH2:35][CH3:36])(=[O:33])[CH2:27][C:28]([O:30][CH2:31][CH3:32])=[O:29].P([O-])([O-])([O-])=O.[K+].[K+].[K+].CC(P(C(C)(C)C)C1C=CC=CC=1C1C=CC=CC=1C)(C)C>O1CCOCC1.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[CH3:25][C@@H:11]1[N:12]([C:15]([O:17][CH2:18][C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)=[O:16])[CH2:13][CH2:14][N:9]([CH2:8][C:5]2[CH:6]=[CH:7][C:2]([CH:27]([C:28]([O:30][CH2:31][CH3:32])=[O:29])[C:26]([O:34][CH2:35][CH3:36])=[O:33])=[CH:3][CH:4]=2)[CH2:10]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 7761Diethyl MalonateHCID 62657Potassium Phosphate, TribasicHCID 27349372-(Di-tert-butylphosphino)-2'-methyl-1,1'-biphenylHCID 25224210Phenylmethyl (2S)-4-[(4-bromophenyl)methyl]-2-methyl-1-piperazine Carboxylate

생성물 1

HCID 25223896Diethyl {4-[((3S)-3-methyl-4-{[(phenylmethyl)oxy]carbonyl}-1-piperazinyl)methyl]phenyl}propanedioate
수율 60.4%

시약·촉매·용매 2

HCID 167845palladium(II) acetate촉매HCID 312751,4-Dioxane용매

실험 절차

A mixture of D6 (1.62 g, 4 mmol), diethyl malonate (0.73 ml, 4.8 mmol), palladium (II) acetate (27 mg, 0.12 mmol), potassium phosphate (1.95 g, 2.3 mmol) and bis(1,1-dimethylethyl)(2′-methyl-2-biphenylyl)phosphane (83 mg, 0.264 mmol) in 1,4-dioxane (20 ml) were refluxed together under argon for ˜20 h. The mixture was filtered through Celite® and concentrated. Chromatography (0-40% EtOAc/hexane) gave the title compound as a clear oil (1.165 g). MS (ES): MH+ 483.

후처리

  1. temperaturewere refluxed together under argon for ˜20 h
  2. filtrationThe mixture was filtered through Celite®
  3. concentrationconcentrated

출처 및 근거

ORD 기록
ord-f151d5cad7ab436fa47c85fd91e4ea07
출처 데이터셋
uspto-grants-2013_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08536182B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트