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1,4-Dioxane → HCID 131734353, 화합물

HRID 1505710
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HRID 1505710 반응식
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([N:14]2[CH:18]=[C:17]([C:19]3[CH:20]=[N:21][C:22]([C:25]4[CH:30]=[CH:29][CH:28]=[C:27]([C:31]#[C:32][Si](C)(C)C)[CH:26]=4)=[N:23][CH:24]=3)[CH:16]=[N:15]2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[N:37]([CH2:40][Si:41]([CH3:44])([CH3:43])[CH3:42])=[N+:38]=[N-:39].[CH2:45]1OCCOC1>O.O.O.O.O.O.S([O-])([O-])(=O)=O.[Cu+2]>[C:1]([O:5][C:6]([N:8]1[CH2:9][CH2:10][CH:11]([N:14]2[CH:18]=[C:17]([C:19]3[CH:24]=[N:23][C:22]([C:25]4[CH:30]=[CH:29][CH:28]=[C:27]([C:31]5[N:39]=[N:38][N:37]([CH:40]([Si:41]([CH3:44])([CH3:43])[CH3:42])[CH3:45])[CH:32]=5)[CH:26]=4)=[N:21][CH:20]=3)[CH:16]=[N:15]2)[CH2:12][CH2:13]1)=[O:7])([CH3:4])([CH3:3])[CH3:2]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 3

HCID 312751,4-DioxaneHCID 150751Trimethylsilylmethyl AzideHCID 89924168HCID 89924168, 화합물2회

생성물 1

HCID 131734353HCID 131734353, 화합물수율 49%

시약·촉매·용매 2

HCID 24463Copper sulfate pentahydrate촉매
HCID 962
Water
용매
2회

실험 절차

A solution of copper sulfate pentahydrate (2.2 mg; 0.01 mmol; 0.04 eq.) in water (0.2 mL) was added to a mixture of 4-{4-[2-(3-Trimethylsilanylethynyl-phenyl)-pyrimidin-5-yl]-pyrazol-1-yl}-piperidine-1-carboxylic acid tert-butyl ester (intermediate 19, 110 mg; 0.22 mmol; 1.0 eq.), azidomethyl-trimethyl-silane (36 μl; 0.24 mmol; 1.1 eq.) and D-(−)-isoascorbic acid sodium salt (9 mg; 0.04 mmol; 0.2 eq.) in Dioxane-1,4 (3 mL). The vial was sealed and stirred overnight at 8000. The reaction mixture was then diluted with water and extracted with EtOAc (three times). Combined organic phases were washed with brine, dried over magnesium sulfate, filtered and concentrated. Purification by flash chromatography on silica afforded the title compound as a beige solid (60 mg, 49%). 1H NMR (300 MHz, DMSO-d6) δ 9.18 (s, 2H), 8.88 (t, J=1.6 Hz, 1H), 8.57 (s, 1H), 8.54 (s, 1H), 8.34 (dt, J=8.0 Hz, 1.6 Hz, 1H), 8.16 (s, 1H), 7.96 (dt, J=8.0 Hz, 1.6 Hz, 1H), 7.60 (t, J=8.0 Hz, 1H), 4.48-4.38 (m, 1H), 4.11-4.03 (m, 4H), 2.94 (m, 2H), 2.09-2.05 (m, 2H), 1.88-1.74 (m, 2H), 1.43 (s, 9H), 0.13 (s, 9H). MS (ESI+): 559.5.

후처리

  1. customThe vial was sealed
  2. extractionextracted with EtOAc (three times)
  3. washCombined organic phases were washed with brine
  4. dry with materialdried over magnesium sulfate
  5. filtrationfiltered
  6. concentrationconcentrated
  7. customPurification by flash chromatography on silica

출처 및 근거

ORD 기록
ord-0d18d58fcf1341818182a633c6855354
출처 데이터셋
uspto-grants-2015_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09216991B2

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