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-[({[(4-Tert-butylphenyl)amino]carbonyl}{4-[(4-butylphenyl)-ethynyl]benzyl}amino)methyl]phenoxy}acetic acid

HRID 551898
ノート
印刷プレビュー

反応式

HRID 551898 の反応式
[C:1]([C:5]1[CH:10]=[CH:9][C:8]([NH:11][C:12]([N:14]([CH2:34][C:35]2[CH:46]=[CH:45][C:38]([O:39][CH2:40][C:41]([O:43]C)=[O:42])=[CH:37][CH:36]=2)[CH2:15][C:16]2[CH:21]=[CH:20][C:19]([C:22]#[C:23][C:24]3[CH:29]=[CH:28][C:27]([CH2:30][CH2:31][CH2:32][CH3:33])=[CH:26][CH:25]=3)=[CH:18][CH:17]=2)=[O:13])=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2].[OH-].[Na+]>CO.C1COCC1>[C:1]([C:5]1[CH:6]=[CH:7][C:8]([NH:11][C:12]([N:14]([CH2:34][C:35]2[CH:46]=[CH:45][C:38]([O:39][CH2:40][C:41]([OH:43])=[O:42])=[CH:37][CH:36]=2)[CH2:15][C:16]2[CH:21]=[CH:20][C:19]([C:22]#[C:23][C:24]3[CH:29]=[CH:28][C:27]([CH2:30][CH2:31][CH2:32][CH3:33])=[CH:26][CH:25]=3)=[CH:18][CH:17]=2)=[O:13])=[CH:9][CH:10]=1)([CH3:2])([CH3:3])[CH3:4]
参加物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 11541808Methyl {4-[({[(4-tert-butylphenyl)amino]carbonyl}{4-[(4-butylphenyl)-ethynyl]benzyl}amino)methyl]phenoxy}acetate

生成物 1

HCID 11570731{4-[({[(4-Tert-butylphenyl)amino]carbonyl}{4-[(4-butylphenyl)-ethynyl]benzyl}amino)methyl]phenoxy}acetic acid収率 69.4%

試薬・触媒・溶媒 2

HCID 887Methanol溶媒
HCID 8028
Tetrahydrofuran
溶媒

実験手順

To a solution of methyl {4-[({[(4-tert-butylphenyl)amino]carbonyl}{4-[(4-butylphenyl)-ethynyl]benzyl}amino)methyl]phenoxy}acetate (70 mg, 0.11 mmol) in MeOH (1 mL) and THF (1 mL) was added an aqueous solution of NaOH (0.5 mL, 5N) and the resulting mixture was stirred at it for 3 hrs. Then the solvents were removed under reduced pressure. The residue was taken up in EtOAc and washed with an aqueous solution of HCl (1N) and brine. The organic layer was dried over MgSO4 and the solvent was removed to give 46 mg (67%) of the title compound. HPLC, Rt: 5.67 min (purity: 97.4%). 1H NMR (CD3OD) δ: 7.48 (d, J=8.3 Hz, 2H), 7.40 (d, J=7.5 Hz, 2H), 7.18-7.33 (m, 10H), 6.93 (d, J=8.7 Hz, 2H), 4.66 (s, 2H), 4.66 (s, 2H), 4.54 (s, 2H), 2.63 (t, J=7.5 Hz, 2H), 1.60 (m, 2H), 1.37 (m, 2H), 1.30 (s, 9H), 0.95 (t, J=7.2 Hz, 3H). M+(ESI): 603.4, M−(ESI): 601.3.

後処理

  1. customThen the solvents were removed under reduced pressure
  2. washwashed with an aqueous solution of HCl (1N) and brine
  3. dry with materialThe organic layer was dried over MgSO4
  4. customthe solvent was removed

出典と根拠

ORDレコード
ord-95e5c3c844064223899c609bc434c392
出典データセット
uspto-grants-2011_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07947851B2

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