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

Piperidine → 3-Chloro-4-(piperidin-1-yl)benzoic acid

HRID 551
노트
인쇄 미리보기

반응식

HRID 551 반응식
C1CCNCC1.O=C(O)c1ccc(Br)c(Cl)c1>CC(C)(C)[O-].Cc1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Na+].[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>O=C(O)c1ccc(N2CCCCC2)c(Cl)c1
참가 물질반응 조건실험 절차출처 및 근거반응 노트

참가 물질

7

반응물 2

HCID 8082PiperidineHCID 125943024-Bromo-3-chlorobenzoic acid

생성물 1

HCID 189562313-Chloro-4-(piperidin-1-yl)benzoic acid수율 10%

시약·촉매·용매 4

HCID 23676156Sodium t-butoxide시약HCID 634876Binap, (A+-)-촉매
HCID 9811564
Bis(dibenzylideneacetone)palladium
촉매
HCID 1140Toluene용매

반응 조건

온도
80 °C

실험 절차

4-bromo-3-chlorobenzoic acid (0.353 g, 1.5 mmol), piperidine (0.234 mL, 2.25 mmol), and sodium tert-butoxide (0.216 g, 2.25 mmol) were stirred together under N2 and heated to 80 °C. Pd2(dba)3 (0.014 g, 0.015 mmol), and BINAP (0.031 g, 0.05 mmol) were mixed in toluene (2 mL) and then added to the mixture and stirred at 110 °C overnight. LCMS showed a very small amount of desired product (~2%). The reaction mixture was degassed with N2 for 30 minutes, then addtional Pd/ Binap was added. The reaction was again heated to 110 C. LCMS showed a small amount of desired product (~10%) but mostly still starting material. The desired product was not isolated from this reaction.

출처 및 근거

ORD 기록
ord-398e791076cd44778e3b80090d8d8371
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
출처 보기

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차출처 및 근거반응 노트