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Sodium Carbonate → HCID 68763597, 화합물

HRID 79557
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HRID 79557 반응식
[CH3:1][C:2]1[C:10]2C(=NC=C(C3C=CC=CC=3)C=2N2CCNCC2)N[CH:3]=1.[NH2:23][C:24]([CH3:59])([CH3:58])[CH2:25][C@H:26]([C:51]1[CH:56]=[CH:55][C:54]([Cl:57])=[CH:53][CH:52]=1)[C:27]([N:29]1[CH2:34][CH2:33][N:32]([C:35]2[C:40]([C:41]3[CH:46]=[CH:45][CH:44]=[C:43](F)[CH:42]=3)=[CH:39][N:38]=[C:37]3[NH:48][CH:49]=[CH:50][C:36]=23)[CH2:31][CH2:30]1)=[O:28].C1C=CC2N(O)N=NC=2C=1.O.CCN=C=NCCCN(C)C.[CH3:82]CN(C(C)C)C(C)C.[C:91]([O-:94])([O-])=[O:92].[Na+].[Na+]>C(Cl)Cl>[Cl:57][C:54]1[CH:55]=[CH:56][C:51]([C@H:26]([C:27]([N:29]2[CH2:34][CH2:33][N:32]([C:35]3[C:40]([C:41]4[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=4)=[CH:39][N:38]=[C:37]4[NH:48][CH:49]=[C:50]([CH3:82])[C:36]=34)[CH2:31][CH2:30]2)=[O:28])[CH2:25][C:24]([NH:23][C:91](=[O:92])[O:94][C:2]([CH3:10])([CH3:3])[CH3:1])([CH3:59])[CH3:58])=[CH:52][CH:53]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 6

HCID 10340Sodium CarbonateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 27960291-Hydroxybenzotriazole hydrateHCID 44198879HCID 44198879, 화합물HCID 687614063-Methyl-5-phenyl-4-(piperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine

생성물 1

HCID 68763597HCID 68763597, 화합물수율 59.3%

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

3-Methyl-5-phenyl-4-(piperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine (0.040 g, 0.110 mmol, see Example 15), (R)-4-(tert-butoxycarbonylamino)-2-(4-chlorophenyl)-4-methylpentanoic acid (0.0412 g, 0.120 mmol, Example 12), HOBT-H2O (0.0235 g, 0.153 mmol), and EDCI (0.0273 g, 0.142 mmol) were placed in DCM (5 mL) at room temperature. DIEA (d 0.742; 0.0954 mL, 0.548 mmol) was then added, and the reaction was stirred at room temperature for 18 hours. The reaction was then poured into saturated Na2CO3 and extracted with DCM. The combined organic fractions were dried, filtered, concentrated and purified (500:5 DCM:MeOH) to give (R)-tert-butyl 4-(4-chlorophenyl)-2-methyl-5-(4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl)-5-oxopentan-2-ylcarbamate (0.040 g, 59.3% yield).

후처리

  1. extractionextracted with DCM
  2. customThe combined organic fractions were dried
  3. filtrationfiltered
  4. concentrationconcentrated
  5. custompurified (500:5 DCM:MeOH)

출처 및 근거

ORD 기록
ord-4f8d12bed8cb4c8b8e1524737f40fea6
출처 데이터셋
uspto-grants-2014_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08841304B2

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