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1,10-Phenanthroline → HCID 59455054, 화합물

HRID 1401699
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HRID 1401699 반응식
[Cl:1][C:2]1[CH:10]=[CH:9][C:8]2[NH:7][C:6]3[CH2:11][CH2:12][N:13]([CH3:15])[CH2:14][C:5]=3[C:4]=2[CH:3]=1.C(=O)([O-])[O-].[K+].[K+].N1C2C(=CC=C3C=2N=CC=C3)C=CC=1.Br[C:37]#[C:38][C:39]1[CH:40]=[CH:41][C:42]([CH2:45][CH2:46][CH3:47])=[N:43][CH:44]=1>C1(C)C=CC=CC=1.C(Cl)Cl.S([O-])([O-])(=O)=O.[Cu+2].O>[Cl:1][C:2]1[CH:10]=[CH:9][C:8]2[N:7]([C:37]#[C:38][C:39]3[CH:44]=[N:43][C:42]([CH2:45][CH2:46][CH3:47])=[CH:41][CH:40]=3)[C:6]3[CH2:11][CH2:12][N:13]([CH3:15])[CH2:14][C:5]=3[C:4]=2[CH:3]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

9

반응물 4

HCID 13181,10-PhenanthrolineHCID 11430Potassium CarbonateHCID 196158-chloro-2-methyl-1H,2H,3H,4H,5H-pyrido(4,3-b)indoleHCID 59454906HCID 59454906, 화합물

생성물 1

HCID 59455054HCID 59455054, 화합물수율 18.3%

시약·촉매·용매 4

HCID 24462
Copper Sulfate
촉매
HCID 962Water용매
HCID 1140Toluene용매2회
HCID 6344Dichloromethane용매

실험 절차

To a stirred solution of 8-chloro-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (0.2 g, 0.00090 mol) and copper sulfate (0.023 g, 0.00009 mol) in toluene (15 mL) was added potassium carbonate (0.25 g, 0.0018 mol) and 1,10 phenanthroline (0.033 g, 0.000018 mol). The reaction mixture was stirred for 5 min at RT. A solution of 5-(bromoethynyl)-2-propylpyridine (0.221 g, 0.00099 mol) in toluene (5 mL) was added to the reaction mixture. The reaction mixture was stirred for 18 h at 80° C. The reaction was monitored by TLC. After completion of reaction, water (30 mL) was added, and the mixture extracted with EtOAc (3×30 mL). The organic layer was dried over anhydrous sodium sulfate, solvent was removed under reduced pressure, and the crude product purified by column chromatography using silica (100-200 mesh) and 3% MeOH:DCM as eluent, diameter of column—5.0 cm, height of silica—approx. 5 inch) to provide the desired compound as a yellow colored oil (0.06 g, 18% yield). 8-Chloro-2-methyl-5-((6-propylpyridin-3-yl)ethynyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (0.056 g, 0.000153 mol) was dissolved in THF (1.0 mL). A solution of oxalic acid dihydrate (0.02 g, 0.000153 mol) in THF (2 mL) was added and stirred for 30 min at RT. The precipitate was filtered and dried to give the oxalate salt as an off-white solid (0.050 g, 80% yield). 1H NMR (CD3OD, oxalate salt) δ (ppm): 8.65 (s, 1H), 7.95 (d, 1H), 7.62 (d, 1H), 7.60 (s, 1H), 7.38 (dd, 2H), 4.78 (m, 2H), 4.50 (s, 2H), 3.76 (m, 2H), 3.10 (s, 3H), 2.80 (m, 2H), 1.76 (m, 2H), 1.0 (t, 3H).

후처리

  1. stirringThe reaction mixture was stirred for 18 h at 80° C
  2. additionwas added
  3. extractionthe mixture extracted with EtOAc (3×30 mL)
  4. dry with materialThe organic layer was dried over anhydrous sodium sulfate, solvent
  5. customwas removed under reduced pressure
  6. customthe crude product purified by column chromatography

출처 및 근거

ORD 기록
ord-c82ead4fc4ca47758d2a78c74beb2bee
출처 데이터셋
uspto-grants-2014_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08907097B2

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