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

2-((1-(Trifluoromethyl)cyclopropyl)methyl)malonic acid → 3-(1-(Trifluoromethyl)cyclopropyl)propanoic acid

HRID 1049283
노트
인쇄 미리보기

반응식

HRID 1049283 반응식
[F:1][C:2]([F:15])([F:14])[C:3]1([CH2:6][CH:7](C(O)=O)[C:8]([OH:10])=[O:9])[CH2:5][CH2:4]1>N1C=CC=CC=1>[F:1][C:2]([F:14])([F:15])[C:3]1([CH2:6][CH2:7][C:8]([OH:10])=[O:9])[CH2:5][CH2:4]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

3

반응물 1

HCID 904024822-((1-(Trifluoromethyl)cyclopropyl)methyl)malonic acid

생성물 1

HCID 904029993-(1-(Trifluoromethyl)cyclopropyl)propanoic acid수율 73%

시약·촉매·용매 1

HCID 1049Pyridine용매

실험 절차

A solution of 2-((1-(trifluoromethyl)cyclopropyl)methyl)malonic acid (1.13 g, 5.00 mmol) in pyridine (25 mL) was heated at 100° C. overnight, cooled to RT and concentrated to dryness. The residue was dissolved in 3N HCl, extracted with DCM (3×) and the combined organics were dried over Na2SO4 and concentrated to dryness to afford 3-(1-(trifluoromethyl)cyclopropyl)propanoic acid (664 mg, 73%). 1H NMR (400 MHz, DMSO-d6): δ 12.18 (s, 1H), 2.32 (t, J=8.0 Hz, 2H), 1.79 (t, J=8.0 Hz, 2H), 0.86 (m, 2H), 0.75 (m, 2H).

후처리

  1. concentrationconcentrated to dryness
  2. dissolutionThe residue was dissolved in 3N HCl
  3. extractionextracted with DCM (3×)
  4. dry with materialthe combined organics were dried over Na2SO4
  5. concentrationconcentrated to dryness

출처 및 근거

ORD 기록
ord-00e58a89e8284c1fb93dbce315da2889
출처 데이터셋
uspto-grants-2016_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09382228B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트