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

Sodium Hydroxide → 4-(2,5-Dimethoxyphenyl)-3-methylbenzoic acid

HRID 219797
ノート
印刷プレビュー

反応式

HRID 219797 の反応式
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([O:9][CH3:10])=[CH:5][C:4]=1[C:11]1[CH:16]=[CH:15][C:14]([C:17]([O:19]C)=[O:18])=[CH:13][C:12]=1[CH3:21].[OH-].[Na+]>CCO.O>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([O:9][CH3:10])=[CH:5][C:4]=1[C:11]1[CH:16]=[CH:15][C:14]([C:17]([OH:19])=[O:18])=[CH:13][C:12]=1[CH3:21]
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 14798Sodium HydroxideHCID 67528761Methyl 2',5'-dimethoxy-2-methylbiphenyl-4-carboxylate

生成物 1

HCID 160405424-(2,5-Dimethoxyphenyl)-3-methylbenzoic acid収率 80.1%

試薬・触媒・溶媒 2

HCID 702Ethanol溶媒HCID 962Water溶媒

反応条件

温度
60 °C

実験手順

Methyl 4-bromo-3-methylbenzoate (Intermediate 17, step 1) (4 g; 17.46 mmol; 1 eq.), 2,5-dimethoxyphenylboronic acid (3.50 g; 19.21 mmol; 1.10 eq.), potassium carbonate (12.07 g; 87.31 mmol; 5 eq.), tetrakis(triphenylphosphine)palladium(0) (2.02 g; 1.75 mmol; 0.10 eq.) were taken in Toluene (20 mL) and water (20 mL) under N2 atmosphere. The reaction mixture was degassed with N2 and then refluxed for 24 hours. The reaction mixture was cooled to RT, filtered over a pad of celite and washed with toluene (200 mL). The filtrate was concentrated to afford a brown oil which was taken up in EtOAc (300 mL). The organic layer was washed with a saturated aqueous solution of NaHCO3 solution (100 mL), water (100 mL) and brine (1000 mL), dried over MgSO4 and concentrated affording methyl 2′,5′-dimethoxy-2-methylbiphenyl-4-carboxylate as a brown oil (5.1 g) used without further purification (HPLC (Method A) Rt 4.73 min (Purity: 59.7%)). A solution of methyl 2′,5′-dimethoxy-2-methylbiphenyl-4-carboxylate (4.50 g; 15.72 mmol; 1 eq.) in EtOH (135 mL) at RT was treated with sodium hydroxide (9.43 mL; 5 M; 47.15 mmol; 3 eq.). The reaction mixture was stirred at 60° C. for 2 hours. The reaction mixture was concentrated to give a beige solid which was taken up in water (100 mL) and the aqueous phase was washed twice with EtOAc. The aqueous phase was acidified with HCl cc to pH 2. Then it was concentrated until precipitation (volume divided by 2). The suspension was filtered affording the title compound as a beige solid (3.43 g, 80%). 1H NMR (DMSO-d6, 300 MHz) δ 12.91 (br s, 1H), 7.85-7.78 (m, 2H), 7.27-7.24 (d, J=7.17 Hz, 1H), 7.08-6.96 (m, 2H), 6.72-6.71 (d, J=3.01 Hz, 1H), 3.76 (s, 3H), 3.68 (s, 3H), 2.14 (s, 3H). LC/MS (Method A): 270.9 (M−H)−. HPLC (Method A) Rt 3.84 min (Purity: 97.8%).

後処理

  1. customused without further purification (HPLC (Method A) Rt 4.73 min (Purity: 59.7%))
  2. concentrationThe reaction mixture was concentrated
  3. customto give a beige solid which
  4. washthe aqueous phase was washed twice with EtOAc
  5. concentrationThen it was concentrated until precipitation (volume divided by 2)
  6. filtrationThe suspension was filtered

出典と根拠

ORDレコード
ord-a2d994c3de224cf0a14cf9f903da2883
出典データセット
uspto-grants-2012_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08202865B2

反応ノート

読み込み中…

このページの内容参加物反応条件実験手順後処理出典と根拠反応ノート