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

Sodium Hydroxide → HCID 86628111, 화합물

HRID 2245246
노트
인쇄 미리보기

반응식

HRID 2245246 반응식
[F:1][C:2]([F:40])([F:39])[C:3]1[CH:4]=[C:5]([C@H:13]([O:15][C@H:16]2[CH2:21][CH2:20][C@H:19]([C:22]([O:24]CC)=[O:23])[C@@H:18]([C:27]([O:29][CH2:30][CH3:31])=[O:28])[C@@H:17]2[C:32]2[CH:37]=[CH:36][C:35]([F:38])=[CH:34][CH:33]=2)[CH3:14])[CH:6]=[C:7]([C:9]([F:12])([F:11])[F:10])[CH:8]=1.[OH-].[Na+]>CO>[F:39][C:2]([F:1])([F:40])[C:3]1[CH:4]=[C:5]([C@H:13]([O:15][C@H:16]2[CH2:21][CH2:20][C@H:19]([C:22]([OH:24])=[O:23])[C@@H:18]([C:27]([O:29][CH2:30][CH3:31])=[O:28])[C@@H:17]2[C:32]2[CH:33]=[CH:34][C:35]([F:38])=[CH:36][CH:37]=2)[CH3:14])[CH:6]=[C:7]([C:9]([F:10])([F:11])[F:12])[CH:8]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

4

반응물 2

HCID 14798Sodium HydroxideHCID 42639483HCID 42639483, 화합물

생성물 1

HCID 86628111HCID 86628111, 화합물수율 94.5%

시약·촉매·용매 1

HCID 887Methanol용매

실험 절차

Diethyl (1S,2S,3R,4S)-4-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)cyclohexane-1,2-dicarboxylate (3.0 g, 5.19 mmol, intermediate from Example 1, Step 1) was dissolved 50 mL methanol. NaOH (20 mL, 5 N) was added at room temperature. The mixture was stirred for 20 hr. Solvent methanol and water were removed under vacuum. The residue was dissolved in 100 mL 2N aq. HCl. The aqueous layer was extracted with ethyl acetate (2×100 mL). The combined organic extracts were washed with brine, dried over MgSO4, filtered and the solvent was removed under vacuum to give the title compound (2.7 g). 1H-NMR (CDCl3) δ: 7.71 (1H, s), 7.21 (2H, s), 6.98 (2H, m), 6.85 (2H, m), 4.43 (1H, q, J=6.4 Hz), 3.75 (2H, q, J=7.1 Hz), 3.35 (1H, m), 2.92-2.72 (3H, m), 2.38 (1H, m), 2.30 (1H, m), 1.60 (2H, m), 1.33 (3H, d, J=6.4 Hz), 0.80 (3H, t, J=7.1 Hz).

후처리

  1. customSolvent methanol and water were removed under vacuum
  2. dissolutionThe residue was dissolved in 100 mL 2N aq. HCl
  3. extractionThe aqueous layer was extracted with ethyl acetate (2×100 mL)
  4. washThe combined organic extracts were washed with brine
  5. dry with materialdried over MgSO4
  6. filtrationfiltered
  7. customthe solvent was removed under vacuum

출처 및 근거

ORD 기록
ord-c9e34133f3824b279f5e7fed4304f291
출처 데이터셋
uspto-grants-2010_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07683068B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트