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1,1'-Carbonyldiimidazole → HCID 10056534, 화합물

HRID 2396609
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HRID 2396609 반응식
C1N=CN(C(N2C=NC=C2)=O)C=1.[CH2:13]([O:20][N:21]([CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][NH:34][C:35](=[O:62])[CH2:36][CH2:37][C:38](=[O:61])[N:39]([O:53][CH2:54][C:55]1[CH:60]=[CH:59][CH:58]=[CH:57][CH:56]=1)[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][NH:45][C:46]([O:48][C:49]([CH3:52])([CH3:51])[CH3:50])=[O:47])[C:22](=[O:28])[CH2:23][CH2:24][C:25](O)=[O:26])[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1.Cl.Cl.[CH2:65]([O:72][NH:73][CH2:74][CH2:75][CH2:76][CH2:77][CH2:78][NH2:79])[C:66]1[CH:71]=[CH:70][CH:69]=[CH:68][CH:67]=1>C(Cl)Cl>[C:49]([O:48][C:46]([NH:45][CH2:44][CH2:43][CH2:42][CH2:41][CH2:40][N:39]([O:53][CH2:54][C:55]1[CH:56]=[CH:57][CH:58]=[CH:59][CH:60]=1)[C:38](=[O:61])[CH2:37][CH2:36][C:35](=[O:62])[NH:34][CH2:33][CH2:32][CH2:31][CH2:30][CH2:29][N:21]([O:20][CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)[C:22](=[O:28])[CH2:23][CH2:24][C:25](=[O:26])[NH:79][CH2:78][CH2:77][CH2:76][CH2:75][CH2:74][NH:73][O:72][CH2:65][C:66]1[CH:71]=[CH:70][CH:69]=[CH:68][CH:67]=1)=[O:47])([CH3:51])([CH3:50])[CH3:52]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 682631,1'-CarbonyldiimidazoleHCID 10101221HCID 10101221, 화합물HCID 86749264HCID 86749264, 화합물

생성물 1

HCID 10056534HCID 10056534, 화합물수율 90%

시약·촉매·용매 1

HCID 6344Dichloromethane용매2회

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온도
0 °C

실험 절차

CDI (0.188 g, 1.16 mmol) was added to a solution of (10) (0.76 g, 1.09 mmol) in dry CH2Cl2 (45 mL). The solution was cooled to 0° C. after 1 hour and (6) (free amine, 0.240 g, 1.15 mmol) was added by cannula in CH2Cl2 (60 mL) over 5 minutes. The reaction was stirred at 0° C. to room temperature for 24 hours. Solvent was removed in vacuo and dilute brine (100 mL) was added to the residue. Extraction was carried out with EtOAc (5×75 mL), followed by washing with 50 mL of cold 0.5M citric acid, 5% NaHCO3, water and brine. Solvent removal gave 0.87 g (90% ) of (11) which was used directly in the next reaction: NMR δ 1.1-1.8 (m+s, 27 H) , 2.3-3.7 (m, 20 H), 4.5 (br s, 1 H), 4.67 (s, 2 H), 4.82 (s, 4 H), 6.2 (br s, 1 H), 7.2-7.4 (m, 15 H). An analytical sample of (11) was obtained from silica gel column chromatography, eluting with 5% MeOH/CHCl3. Anal. calcd. for C49H72N6O9 : C, 66.19; H, 8.16; N, 9.45. Found: C, 66.18; H, 8.17; N, 9.42.

후처리

  1. customSolvent was removed in vacuo and dilute brine (100 mL)
  2. additionwas added to the residue
  3. extractionExtraction
  4. washby washing with 50 mL of cold 0.5M citric acid, 5% NaHCO3, water and brine
  5. customSolvent removal

출처 및 근거

ORD 기록
ord-823443919aac403aba8f6f2f096e1c83
출처 데이터셋
uspto-grants-1996_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05493053

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