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Water → (R)-methyl 4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)pyridin-3-ylcarbamate

HRID 44857
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HRID 44857 반응식
[NH2:1][C:2]1[CH:3]=[N:4][CH:5]=[CH:6][C:7]=1[C:8]1[N:17]=[CH:16][C:15]2[N:14]([CH3:18])[C:13](=[O:19])[C@@H:12]([CH2:20][CH3:21])[N:11]([CH:22]3[CH2:26][CH2:25][CH2:24][CH2:23]3)[C:10]=2[N:9]=1.Cl[CH2:28][O:29][C:30](=O)[O-:31].O>N1C=CC=CC=1>[CH:22]1([N:11]2[C:10]3[N:9]=[C:8]([C:7]4[CH:6]=[CH:5][N:4]=[CH:3][C:2]=4[NH:1][C:30](=[O:31])[O:29][CH3:28])[N:17]=[CH:16][C:15]=3[N:14]([CH3:18])[C:13](=[O:19])[C@H:12]2[CH2:20][CH3:21])[CH2:26][CH2:25][CH2:24][CH2:23]1
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참가 물질

5

반응물 3

HCID 962WaterHCID 21717543ChloromethylcarbonateHCID 58405310HCID 58405310, 화합물

생성물 1

HCID 58405574(R)-methyl 4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)pyridin-3-ylcarbamate

시약·촉매·용매 1

HCID 1049Pyridine용매

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온도
80 °C

실험 절차

A mixture of (R)-2-(3-aminopyridin-4-yl)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one (Example 91, 1 eq) and chloromethylcarbonate (10 eq) in dry pyridine under Ar was stirred at 80° C. overnight. The mixture was cooled to rt and water was added, then extracted with EtOAc. The organic layer was dried with Na2SO4, then concentrated and the residue was purified by a silica gel column to give the title compound. LCMS (0.05% TFA): 411.1 m/z (M+H)+; 1H-NMR (DMSO-d6, 500 MHz): δ: 12.22 (s, 1H), 9.56 (s, 1H), 8.43 (d, 1H, J=5 Hz), 8.30 (s, 1H), 8.26 (d, 1H, J=5 Hz), 4.48 (m, 2H), 3.79 (s, 3H), 3.39 (s, 3H), 2.12-1.69 (m, 10H), 0.82 (t, 3H, J=7.5 Hz).

후처리

  1. temperatureThe mixture was cooled to rt
  2. extractionextracted with EtOAc
  3. dry with materialThe organic layer was dried with Na2SO4
  4. concentrationconcentrated
  5. customthe residue was purified by a silica gel column

출처 및 근거

ORD 기록
ord-9801ae9d6aae40da9b22da0a88c2c8ab
출처 데이터셋
uspto-grants-2013_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08541418B2

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