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Morpholine → HCID 21884596, 화합물

HRID 722607
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HRID 722607 반응식
C([O:8][C:9]([C:11]1[CH:12]=[C:13]2[C:17](=[CH:18][CH:19]=1)[C:16](=[O:20])[N:15]([C:21]1[CH:26]=[CH:25][CH:24]=[C:23]([C:27]3[O:28][C:29]4[CH:35]=[C:34]([C:36](Cl)=[O:37])[CH:33]=[CH:32][C:30]=4[N:31]=3)[CH:22]=1)[C:14]2=[O:39])=[O:10])C1C=CC=CC=1.[CH2:40]([NH2:46])[CH:41]1[O:45][CH2:44][CH2:43][CH2:42]1.N1CCOCC1.[N-]=C=O>C1COCC1>[O:45]1[CH2:44][CH2:43][CH2:42][CH:41]1[CH2:40][NH:46][C:36]([C:34]1[CH:33]=[CH:32][C:30]2[N:31]=[C:27]([C:23]3[CH:22]=[C:21]([N:15]4[C:14](=[O:39])[C:13]5[C:17](=[CH:18][CH:19]=[C:11]([C:9]([OH:8])=[O:10])[CH:12]=5)[C:16]4=[O:20])[CH:26]=[CH:25][CH:24]=3)[O:28][C:29]=2[CH:35]=1)=[O:37]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 8083MorpholineHCID 105034IsocyanateHCID 253298TetrahydrofurfurylamineHCID 86600622HCID 86600622, 화합물

생성물 1

HCID 21884596HCID 21884596, 화합물수율 59%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매2회

실험 절차

A solution of 2-[3-(6-chlorocarbonylbenzoxazol-2-yl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid benzyl ester (50 mg, 0.09 mmol) in THF (1 ml) was added to a solution of tetrahydrofurfurylamine (14 mg, 0.14 mmol) in THF (1 ml) containing polymer bound morpholine (2.5 mmol g−1, 72 mg). After shaking overnight, polymer bound isocyanate (2.0 mmol g−1, 90 mg) was added and the reaction shaken for 4 h. The reaction was filtered and the solvent removed under reduced pressure. The residue was suspended in dioxane and palladium on carbon was added (spatula tip). The reaction vessel was purged with hydrogen and stirred at room temperature overnight. The reaction was filtered through celite and the filtrate concentrated to give the title compound (27 mg, 59%). 1H NMR (DMSO) δ 8.74(t, 1H), 8.44(dd, 1H), 8.37(m, 2H), 8.31–8.27(m, 3H), 8.12(d, 1H), 7.97(dd, 1H), 7.90(d, 1H), 7.85–7.76(m, 1H), 4.00(m, 2H), 3.79(m, 1H), 3.65(m, 2H), 1.98–1.77(4H, m). MS 510.2 m/z (M−H)−.

후처리

  1. stirringthe reaction shaken for 4 h
  2. filtrationThe reaction was filtered
  3. customthe solvent removed under reduced pressure
  4. additionpalladium on carbon was added (spatula tip)
  5. customThe reaction vessel was purged with hydrogen
  6. stirringstirred at room temperature overnight
  7. filtrationThe reaction was filtered through celite
  8. concentrationthe filtrate concentrated

출처 및 근거

ORD 기록
ord-e06b24164679474e9527189170dfb3fc
출처 데이터셋
uspto-grants-2006_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07138425B2

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