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Tetrahydro-2-(2-propynyloxy)-2H-pyran → 1-(3,4-Dichlorophenyl)-4-[(oxan-2-yl)oxy]but-2-yn-1-one

HRID 1823236
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HRID 1823236 반응식
[Cl:1][C:2]1[CH:3]=[C:4]([CH:11]=[CH:12][C:13]=1[Cl:14])[C:5](N(OC)C)=[O:6].[CH2:15]([O:18][CH:19]1[CH2:24][CH2:23][CH2:22][CH2:21][O:20]1)[C:16]#[CH:17].C[Si]([N-][Si](C)(C)C)(C)C.[Li+]>C1COCC1>[Cl:1][C:2]1[CH:3]=[C:4]([C:5](=[O:6])[C:17]#[C:16][CH2:15][O:18][CH:19]2[CH2:24][CH2:23][CH2:22][CH2:21][O:20]2)[CH:11]=[CH:12][C:13]=1[Cl:14]
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참가 물질

5

반응물 3

HCID 98609Tetrahydro-2-(2-propynyloxy)-2H-pyranHCID 2733832Lithium hexamethyldisilazaneHCID 114136423,4-Dichloro-N-methoxy-N-methylbenzamide

생성물 1

HCID 221710771-(3,4-Dichlorophenyl)-4-[(oxan-2-yl)oxy]but-2-yn-1-one

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매

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온도
10 °C

실험 절차

To a mixture of 3,4-dichloro-N-methoxy-N-methyl-benzamide from Example 511 (0.68 g, 2.9 mmol) and tetrahydro-2-(2-propynyloxy)-2H-pyran (0.40 mL, 2.9 mmol) in 3.5 mL of dry THF at −25° C. was added lithium bis(trimethylsilyl)amide (LHMDS, 1 M in THF) between −25° C. and −18° C. The reaction mass was stirred at that temperature range for 1 h. The reaction was quenched with 10 mL of 1 M citric acid and was allowed to warm to 10° C. EtOAc (5 mL) was added and the mass was stirred for 15 min. The pH of the aqueous layer was 5. The layers were separated and the organic layer was concentrated to give a light yellow oil (110%, including residual solvent). HPLC (Method U): Rt=15.42 min. MS (ES+): mass calculated for C15H14Cl2O3, 312.03; m/z found, 325.1 [M+Na]+. 1H NMR (400 MHz, CDCl3): 8.19 (d, J=2 Hz, 1H), 7.95 (dd, J=8.4, 2.1 Hz, 1H), 7.57 (d, J=8.4 Hz, 1H), 4.94-4.81 (m, 1H), 4.56 (s, 2H), 3.97-3.82 (m, 1H), 3.71-3.55 (m, 1H), 1.91-1.54 (m, 6H). 13C NMR (100 MHz, CDCl3): 175.0, 139.0, 136.0, 133.4, 131.4, 131.2, 130.8, 128.3, 97.7, 92, 82.9, 62.2, 54.2, 30.1, 25.2, 18.9.

후처리

  1. customThe reaction was quenched with 10 mL of 1 M citric acid
  2. additionEtOAc (5 mL) was added
  3. stirringthe mass was stirred for 15 min
  4. customThe layers were separated
  5. concentrationthe organic layer was concentrated
  6. customto give a light yellow oil (110%, including residual solvent)

출처 및 근거

ORD 기록
ord-75fa69f2d38e44a880f35f940fc1c2eb
출처 데이터셋
uspto-grants-2006_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07037931B2

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