ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.8.0
  1. ホーム
  2. /反応

Acetic Acid → 2-(3,4-Dichlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic Acid

HRID 2375560
ノート
印刷プレビュー

反応式

HRID 2375560 の反応式
[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[C:7]3[CH2:13][CH2:12][CH2:11][CH2:10][C:8]3=2)[C:3](=O)[C:2]1=[O:15].C(OC[C:21](=O)[CH2:22][C:23]1[CH:28]=[CH:27][C:26]([Cl:29])=[C:25]([Cl:30])[CH:24]=1)(=O)C.[C:32]([OH:35])(=[O:34])C.Cl>C(O)C.[OH-].[Na+].O.C(#N)C>[Cl:30][C:25]1[CH:24]=[C:23]([CH:28]=[CH:27][C:26]=1[Cl:29])[CH2:22][C:21]1[C:2]([OH:15])=[C:3]([C:32]([OH:35])=[O:34])[C:4]2[C:9](=[C:8]3[CH2:10][CH2:11][CH2:12][CH2:13][C:7]3=[CH:6][CH:5]=2)[N:1]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

9

反応物 4

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 137804146,7,8,9-Tetrahydro-1H-benzo[g]indole-2,3-dioneHCID 161000723-(3,4-Dichlorophenyl)-2-oxopropyl Acetate

生成物 1

HCID 114523902-(3,4-Dichlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic Acid収率 20%

試薬・触媒・溶媒 4

HCID 702
Ethanol
溶媒
2 回
HCID 962Water溶媒
HCID 6342Acetonitrile溶媒
HCID 14798Sodium Hydroxide溶媒

実験手順

The Pfitzinger reaction was used. In a 2-necked 25 mL round-bottomed flask, 6,7,8,9-tetrahydrobenzo[g]indoline-2,3-dione (0.119 g, 0.590 mmol) was taken up in 1 mL ethanol and 3 mL 10 M NaOH, and the mixture heated to reflux temperature. A solution of 3-(3,4-dichlorophenyl)-2-oxopropyl acetate (0.200 g, 0.767 mmol) in 3 mL ethanol was added in small portions over the course of 1 hour, by syringe. Refluxing was continued for an additional hour after the addition was complete, and the reaction mixture was then cooled to room temperature and acidified with glacial acetic acid, and the yellow precipitate collected by filtration. This crude product was purified by preparative HPLC (acetonitrile/water/triethylamine), and the pure salt thus obtained was converted back to the free acid by acidification of a 5% acetonitrile in water solution with concentrated HCl. The bright yellow precipitate was collected by filtration and dried under vacuum (47.8 mg, 20% yield): 1H NMR (400 MHz, DMSO-d6) δ 1.73-1.86 (m, 4H) 2.81 (t, J=6.1 Hz, 2H) 3.12 (t, J=5.9 Hz, 2H) 4.30 (s, 2H) 7.28 (t, J=8.7 Hz, 2H) 7.53 (d, J=8.1 Hz, 1H) 7.59 (d, J=2.0 Hz, 1H) 8.19 (d, J=8.6 Hz, 1H); HRMS (ESI+) calcd for C21H18Cl2NO3 (MH+) 402.0658, found 402.0661.

後処理

  1. customThe Pfitzinger reaction
  2. temperatureto reflux temperature
  3. temperatureRefluxing
  4. waitwas continued for an additional hour
  5. additionafter the addition
  6. filtrationthe yellow precipitate collected by filtration
  7. customThis crude product was purified by preparative HPLC (acetonitrile/water/triethylamine)
  8. customthe pure salt thus obtained
  9. filtrationThe bright yellow precipitate was collected by filtration
  10. customdried under vacuum (47.8 mg, 20% yield)

出典と根拠

ORDレコード
ord-f0e097254d46436ebd5a1e04d096291d
出典データセット
uspto-grants-2008_12
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07465798B2

反応ノート

読み込み中…

このページの内容参加物実験手順後処理出典と根拠反応ノート