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Glyoxylic Acid → tert-Butyl 7-bromo-6-fluoro-3,4-dihydro-1H-pyrido[3,4-b]indole-2(9H)-carboxylate

HRID 1020703
ノート
印刷プレビュー

反応式

HRID 1020703 の反応式
C(O)(=O)C=O.BrC1C=C2C(C(CCN)=CN2)=CC=1F.[OH-].[Na+].[Br:22][C:23]1[CH:31]=[C:30]2[C:26]([C:27]3[CH2:35][CH2:34][NH:33][CH2:32][C:28]=3[NH:29]2)=[CH:25][C:24]=1[F:36].BrC1C2NC3CCNCC=3C=2C=CC=1F.[C:52](=O)([O:58]C(C)(C)C)[O:53][C:54]([CH3:57])([CH3:56])[CH3:55]>Cl.ClCCl.CN(C1C=CN=CC=1)C>[Br:22][C:23]1[CH:31]=[C:30]2[C:26]([C:27]3[CH2:35][CH2:34][N:33]([C:52]([O:53][C:54]([CH3:57])([CH3:56])[CH3:55])=[O:58])[CH2:32][C:28]=3[NH:29]2)=[CH:25][C:24]=1[F:36]
参加物実験手順後処理出典と根拠反応ノート

参加物

10

反応物 6

HCID 760Glyoxylic AcidHCID 14798Sodium Hydroxide3 回HCID 10219638Carbonic acid, bis(1,1-dimethylethyl) esterHCID 57950350HCID 57950350、化合物HCID 68657467HCID 68657467、化合物HCID 68657570HCID 68657570、化合物

生成物 1

HCID 57950329
tert-Butyl 7-bromo-6-fluoro-3,4-dihydro-1H-pyrido[3,4-b]indole-2(9H)-carboxylate
収率 12%

試薬・触媒・溶媒 3

HCID 142844-(Dimethylamino)pyridine触媒HCID 313Hydrochloric Acid溶媒2 回HCID 6344Dichloromethane溶媒

実験手順

Glyoxylic acid (8.6 g, 95 mmol) was added to a solution of 2-(6-bromo-5-fluoro-1H-indol-3-yl)ethanamine (8.1 g 31 mmol) in 2 N HCl (150 ml), and the pH of the resulting solution was adjusted to pH 3.5 with 6 N NaOH solution. The reaction mixture was stirred at ambient temperature for 18 h. The solution was adjusted to pH 5.5 with 6 N NaOH solution. The resulting precipitate was collected by filtration and dried under vacuum to afford a yellow solid. The yellow solid was suspended in 2 N HCl (100 mL), and the resulting mixture was stirred at reflux for 4.5 h. The reaction mixture was cooled to ambient temperature and was adjusted to pH 10 by addition of 2 N sodium hydroxide solution. The resulting precipitate was collected by filtration and dried under vacuum to afford a crude mixture of 7-bromo-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole and 6-bromo-7-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (2.0 g, 23%) as a yellow solid. The mixture (1.9 g, 7.1 mmol) was suspended in dichloromethane (100 mL) and di-tert-butyl carbonate (1.85 g, 8.7 mmol) was added, followed by addition of DMAP (100 mg, 0.82 mmol). The reaction mixture was stirred at ambient temperature for 18 h and concentrated under vacuum. The residue was purified twice by column chromatography (silica gel, hexanes/ethyl acetate, 0:1 to 1:1) to afford the title compound (300 mg, 12%) as a pale yellow solid: 1H NMR (300 MHz, CDCl3) δ 7.46 (d, J=5.7 Hz, 1H), 7.18 (d, J=9.0 Hz, 1H), 4.61 (s, 2H), 3.75 (br m, 2H), 2.73 (br m, 2H), 1.56 (s, 9H); ESI MS m/z 369 [M+H]+.

後処理

  1. filtrationThe resulting precipitate was collected by filtration
  2. customdried under vacuum
  3. customto afford a yellow solid
  4. stirringthe resulting mixture was stirred
  5. temperatureat reflux for 4.5 h
  6. temperatureThe reaction mixture was cooled to ambient temperature
  7. filtrationThe resulting precipitate was collected by filtration
  8. customdried under vacuum
  9. customto afford a crude
  10. stirringThe reaction mixture was stirred at ambient temperature for 18 h
  11. concentrationconcentrated under vacuum
  12. customThe residue was purified twice by column chromatography (silica gel, hexanes/ethyl acetate, 0:1 to 1:1)

出典と根拠

ORDレコード
ord-15dbc80342c243c59260244a048713ee
出典データセット
uspto-grants-2014_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08716308B2

反応ノート

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