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

Hydrochloric Acid → HCID 86691273, 화합물

HRID 2037298
노트
인쇄 미리보기

반응식

HRID 2037298 반응식
[CH2:1]([Zn]CC)C.FC(F)(F)C(O)=O.ICI.[CH2:16]([O:23][C:24]([NH:26][C@@:27]1([C:39]([O:41][CH2:42][CH3:43])=[O:40])[CH2:32][C:31](=[CH2:33])[C@@H:30]2[C@H:28]1[C@H:29]2[C:34]([O:36][CH2:37][CH3:38])=[O:35])=[O:25])[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1.Cl>ClC(Cl)C>[CH2:16]([O:23][C:24]([NH:26][C@@:27]1([C:39]([O:41][CH2:42][CH3:43])=[O:40])[CH2:32][C:31]2([CH2:1][CH2:33]2)[C@@H:30]2[C@H:28]1[C@H:29]2[C:34]([O:36][CH2:37][CH3:38])=[O:35])=[O:25])[C:17]1[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 5

HCID 313Hydrochloric AcidHCID 6346DiiodomethaneHCID 6422Trifluoroacetic acidHCID 86691272Diethyl (1S,2S,5R,6S)-2-benzyloxycarbonylamino-4-methylene-bicyclo[3.1.0]hexane-2,6-dicarboxylateHCID 178418750HCID 178418750, 화합물

생성물 1

HCID 86691273HCID 86691273, 화합물수율 106.1%

시약·촉매·용매 1

HCID 63651,1-Dichloroethane용매4회

반응 조건

온도
-15 °C

실험 절차

To a jacketed reaction flask connected to a chiller unit, add diethylzinc solution (157.2 mL, 157.2 mmol, 1M in heptanes) under a nitrogen atmosphere. Cool the solution to −15° C. and dilute with cold (−15° C.), dry dichloroethane (157.2 mL). Dissolve trifluoroacetic acid (11.1 mL, 146.7 mmol) in dichloroethane (11.1 mL) and add to the reaction vessel over 50 minutes, keeping the internal temperature below −10° C. Stir the resulting suspension at −10 to −15° C. for 30 minutes. Dissolve diiodomethane (12.7 mL, 42.1 g, 157.2 mmol) in dichloroethane (12.7 mL) and add to the reaction mixture over 50 minutes, keeping the internal temperature below −10° C. Stir the resulting thin, white suspension at −10 to −15° C. for 30 minutes. Dissolve diethyl (1S,2S,5R,6S)-2-benzyloxycarbonylamino-4-methylene-bicyclo[3.1.0]hexane-2,6-dicarboxylate (20.3 g, 87.9% potency, 46.0 mmol) in dichloroethane (30.4 mL) and add to the reaction mixture over 10 minutes, keeping the internal temperature below −10° C. Stir the clear, pale yellow solution at −10° C. for 5 minutes and monitor for latent exotherms. Change the set point on the chiller to 0° C. and stir the reaction mixture at that temperature for 48 hours. Quench the reaction mixture by addition of 5N HCl (62.9 mL, 314.4 mmol) over 15 minutes, keeping the internal temperature below 6° C. Stir the resulting mixture at 0-5° C. for 20 minutes, then transfer to a funnel and separate the layers. Wash the organic layer with 1N HCl (2×50 mL) followed by 1:1 saturated NaHCO3/H2O (60 mL), 1:1 saturated Na2CO3/H2O (60 mL) and water (50 mL). Dry the organics over Na2SO4 and concentrate in vacuo to afford the title compound as a pale yellow oil (19.6 g, 60.3% potent, 63.9% corrected yield). 1H NMR (DMSO-d6) δ 0.37 (m, 2H), 0.52-0.55 (dm, 2H), 1.13-1.17 (m, 6H), 1.49-1.50 (m, 1H), 1.51-1.56 (m, 1H), 1.60-1.79 (m, 2H), 3.97-4.10 (m, 5H), 5.00 (s, 2H), 7.29-7.34 (m, 5H), 8.04 (s, 1H).

후처리

  1. customTo a jacketed reaction flask connected to a chiller unit
  2. customthe internal temperature below −10° C
  3. customthe internal temperature below −10° C
  4. stirringStir the resulting thin, white suspension at −10 to −15° C. for 30 minutes
  5. customthe internal temperature below −10° C
  6. stirringStir the clear, pale yellow solution at −10° C. for 5 minutes
  7. stirringChange the set point on the chiller to 0° C. and stir the reaction mixture at that temperature for 48 hours
  8. customQuench the reaction mixture
  9. customthe internal temperature below 6° C
  10. stirringStir the resulting mixture at 0-5° C. for 20 minutes
  11. customtransfer to a funnel
  12. customseparate the layers
  13. washWash the organic layer with 1N HCl (2×50 mL)
  14. dry with materialDry the organics over Na2SO4
  15. concentrationconcentrate in vacuo

출처 및 근거

ORD 기록
ord-a555521eb23147408decbd6ca84cbaca
출처 데이터셋
uspto-grants-2013_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08575214B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트