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

Hydrochloric Acid → 3-[2-Fluoro-5-(4-oxo-3,4,5,6,7,8-hexahydro-phthalazin-1-ylmethyl)-phenyl]-5-methylimidazolidine-2,4-dione

HRID 1012957
ノート
印刷プレビュー

反応式

HRID 1012957 の反応式
C[O:2][C:3](=O)[CH:4]([NH:6][C:7]([NH:9][C:10]1[CH:15]=[C:14]([CH2:16][C:17]2[C:26]3[CH2:25][CH2:24][CH2:23][CH2:22][C:21]=3[C:20](=[O:27])[NH:19][N:18]=2)[CH:13]=[CH:12][C:11]=1[F:28])=[O:8])[CH3:5].[OH-].[Na+].Cl>CC(N(C)C)=O>[F:28][C:11]1[CH:12]=[CH:13][C:14]([CH2:16][C:17]2[C:26]3[CH2:25][CH2:24][CH2:23][CH2:22][C:21]=3[C:20](=[O:27])[NH:19][N:18]=2)=[CH:15][C:10]=1[N:9]1[C:3](=[O:2])[CH:4]([CH3:5])[NH:6][C:7]1=[O:8]
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 3

HCID 313Hydrochloric AcidHCID 14798Sodium HydroxideHCID 577866402-{3-[2-Fluoro-5-(4-oxo-3,4,5,6,7,8-hexahydro-phthalazin-1-ylmethyl)-phenyl]-ureido}-propionic Acid Methyl Ester

生成物 1

HCID 577866443-[2-Fluoro-5-(4-oxo-3,4,5,6,7,8-hexahydro-phthalazin-1-ylmethyl)-phenyl]-5-methylimidazolidine-2,4-dione

試薬・触媒・溶媒 1

HCID 31374Dimethylacetamide
溶媒

実験手順

To a solution of 2-{3-[2-fluoro-5-(4-oxo-3,4,5,6,7,8-hexahydro-phthalazin-1-ylmethyl)-phenyl]-ureido}-propionic acid methyl ester (12) (0.425 g, 1.053 mmol), in dry DMA (5 ml), was added ground sodium hydroxide (0.433 mg, 1.053 mmol) in one portion. The reaction mixture was then placed in a preheated oil bath at 50° C. for 10 minutes and neutralised by addition of HCl (2N, ca 1 ml). The mixture was then concentrated to dryness and subjected to flash chromatography, eluent neat ethyl acetate (Rf=0.15). Single peak in LC-MS, (0.457 g, 99% purity); 1H NMR (300 MHz, D6 DMSδ ppm 12.61 (s, 1H), 8.51 (s, 1H), 7.40-7.15 (m, 3H), 4.32 (m, 1H), 3.93 (s, 2H), 2.46 (m, 4H), 1.63 (s, 4H), 1.35 (d, J=6.94 Hz, 3H). M/z (LC-MS, ESP), RT=3.28 mins (M+H 371.1).

後処理

  1. concentrationThe mixture was then concentrated to dryness

出典と根拠

ORDレコード
ord-7820e88674f64179962efc38a31fda13
出典データセット
uspto-grants-2011_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07981890B2

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