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Triethylamine → HCID 10906711, 화합물

HRID 1432919
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HRID 1432919 반응식
C(N(CC)CC)C.[CH2:8]([O:15][C:16]([N:18]1[CH2:23][CH2:22][N:21]([CH2:24][C:25]#[CH:26])[C:20](=[O:27])[CH2:19]1)=[O:17])[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1.[C:28]([O:32][C:33](=[O:42])[NH:34][C:35]1[CH:40]=[CH:39][N:38]=[CH:37][C:36]=1I)([CH3:31])([CH3:30])[CH3:29].C1CCN2C(=NCCC2)CC1>CN(C=O)C.C(OCC)(=O)C.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[Cu]I>[C:28]([O:32][C:33]([N:34]1[C:35]2[CH:40]=[CH:39][N:38]=[CH:37][C:36]=2[CH:26]=[C:25]1[CH2:24][N:21]1[CH2:22][CH2:23][N:18]([C:16]([O:15][CH2:8][C:9]2[CH:10]=[CH:11][CH:12]=[CH:13][CH:14]=2)=[O:17])[CH2:19][C:20]1=[O:27])=[O:42])([CH3:31])([CH3:29])[CH3:30]
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참가 물질

9

반응물 4

HCID 8471TriethylamineHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 10891001Benzyl 3-oxo-4-(prop-2-yn-1-yl)piperazine-1-carboxylateHCID 10903275(3-Iodo-pyridin-4-yl)-carbamic acid tert-butyl ester

생성물 1

HCID 10906711HCID 10906711, 화합물수율 76.7%

시약·촉매·용매 4

HCID 24350
Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)
촉매
HCID 178418476HCID 178418476, 화합물촉매
HCID 6228Dimethylformamide용매
HCID 8857Ethyl Acetate용매

반응 조건

온도
100 °C

실험 절차

Pd(PPh3)2Cl2 (0.29 g, 0.41 mmol), CuI (0.05 g, 0.25 mmol) and triethylamine (4.6 mL, 3.29 mmol) is added to a solution of 3-oxo-4-prop-2-ynylpiperazine-1-carboxylic acid benzyl ester (2.24 g, 8.23 mmol) and (3-iodopyridin-4-yl)-carbamic acid tert-butyl ester (2.63 g, 8.23 mmol) in DMF (30 mL) at room temperature. The mixture is heated to 100° C. and stirred for 1.5 hours. The reaction mixture is then cooled to 50° C. and DBU (2.5 mL, 16.5 mmol) is added. After 30 minutes the solution is cooled to room temperature, diluted with ethyl acetate and washed with saturated ammonium chloride, water and brine. The organic layer is dried over MgSO4, filtered and concentrated in vacuo. The resulting solid is purified by column chromatography eluting with a gradient of 2% MeOH/CH2Cl2to 5% MeOH/CH2Cl2to give the product (2.93 g, 6.31 mmol) as a white solid. 1H NMR (CDCl3, 300 MHz) δ8.75 (s, 1H), 8.4 (d, 1H), 7.85 (d, 1H), 7.35 (m, 5H), 6.38 (s, 1H), 5.2 (s, 2H), 5.00 (s, 2H), 4.29 (s, 2H), 3.85 (m, 2H), 3.52 (m, 2H), 1.7 (s, 9H). Ion spray MS, [M+H]+=465.

후처리

  1. temperatureThe reaction mixture is then cooled to 50° C.
  2. temperatureAfter 30 minutes the solution is cooled to room temperature
  3. washwashed with saturated ammonium chloride, water and brine
  4. dry with materialThe organic layer is dried over MgSO4
  5. filtrationfiltered
  6. concentrationconcentrated in vacuo
  7. customThe resulting solid is purified by column chromatography
  8. washeluting with a gradient of 2% MeOH/CH2Cl2to 5% MeOH/

출처 및 근거

ORD 기록
ord-14df01b481304d4d9cba82da8576722d
출처 데이터셋
uspto-grants-2009_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07612075B2

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