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1,8-Diazabicyclo(5.4.0)undec-7-ene → HCID 58115049、化合物

HRID 1808697
ノート
印刷プレビュー

反応式

HRID 1808697 の反応式
[CH3:1][CH:2]1[CH2:7][CH2:6][CH2:5][CH2:4][N:3]1[CH2:8][C:9]#[C:10][C:11]1[N:12]=[C:13]2[CH:19]=[CH:18][N:17]([CH2:20][O:21][CH2:22][CH2:23][Si:24]([CH3:27])([CH3:26])[CH3:25])[C:14]2=[N:15][CH:16]=1.C1CCN2C(=NCCC2)CC1>CC(N(C)C)=O.[Cu](I)I>[CH3:1][CH:2]1[CH2:7][CH2:6][CH2:5][CH2:4][N:3]1[C:8]1[N:12]2[C:11]([CH:16]=[N:15][C:14]3[N:17]([CH2:20][O:21][CH2:22][CH2:23][Si:24]([CH3:27])([CH3:25])[CH3:26])[CH:18]=[CH:19][C:13]=32)=[CH:10][CH:9]=1
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

5

反応物 2

HCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 58115030HCID 58115030、化合物

生成物 1

HCID 58115049HCID 58115049、化合物収率 19.5%

試薬・触媒・溶媒 2

HCID 83717Copper iodide触媒HCID 31374Dimethylacetamide溶媒

反応条件

温度
130 °C

実験手順

To a flask containing (+/−)-2-[3-(2-methyl-piperidin-1-yl)-prop-1-ynyl]-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine (185 mg, 0.48 mmol) was added copper iodide (37 mg, 0.19 mmol), and DBU (0.34 mL, 2.28 mmol) in dry dimethyl acetamide (1 mL). The mixture was vacuum degassed and heated to 130° C. and stirred for 3 hours. The mixture was cooled to ambient and quenched via the addition of water (30 ml) and ethyl acetate (30 ml).The material was shaken in a reparatory funnel, and the ethyl acetate phase was collected. The aqueous phases were back extracted with ethyl acetate (2×25 ml), the organics combined, dried (MgSO4), filtered and stripped. The remainder was purified by preparative TLC using 25% ethyl acetate in hexanes as eluant. The product band was collected to provide 36 mg of (+/−)-8-(2-methyl-piperidin-1-yl)-3-(2-trimethylsilanyl-ethoxymethyl)-3H-3,4,8a-triaza-as-indacene as a brown-black oil. Note that starting material (90 mg) was also recovered. This material was subjected to the identical reaction conditions as above (but over-night heating), to provide an extra 12 mg of product. MS (M+H)+=385.

後処理

  1. customdegassed
  2. temperatureThe mixture was cooled to ambient and
  3. customquenched via the addition of water (30 ml) and ethyl acetate (30 ml).The material
  4. stirringwas shaken in a reparatory funnel
  5. customthe ethyl acetate phase was collected
  6. extractionThe aqueous phases were back extracted with ethyl acetate (2×25 ml)
  7. dry with materialdried (MgSO4)
  8. filtrationfiltered
  9. customThe remainder was purified by preparative TLC
  10. customThe product band was collected

出典と根拠

ORDレコード
ord-ac7672c3079343e9a2c2f2a37335165d
出典データセット
uspto-grants-2013_01
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08361962B2

反応ノート

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