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Diisopropylethylamine → HCID 57872112、化合物

HRID 1972332
ノート
印刷プレビュー

反応式

HRID 1972332 の反応式
[Cl-].[CH:2]1([NH:5][C:6](=[O:39])[C@@H:7]([OH:38])[C@@H:8]([NH:12][C:13]([C@@H:15]2[CH2:19][C@@H:18]([O:20][C:21]3[C:30]4[C:25](=[CH:26][C:27]([O:31][CH3:32])=[CH:28][CH:29]=4)[N:24]=[C:23]([N:33]4[CH:37]=[CH:36][CH:35]=[N:34]4)[CH:22]=3)[CH2:17][NH2+:16]2)=[O:14])[CH2:9][CH2:10][CH3:11])[CH2:4][CH2:3]1.[C:40]([NH:44][C:45](=[O:55])[NH:46][C@H:47]([C:51]([CH3:54])([CH3:53])[CH3:52])[C:48](O)=[O:49])([CH3:43])([CH3:42])[CH3:41].F[P-](F)(F)(F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2N=CC=CC=2N=N1.C(N(C(C)C)CC)(C)C>CS(C)=O.O>[C:40]([NH:44][C:45](=[O:55])[NH:46][C@@H:47]([C:51]([CH3:54])([CH3:53])[CH3:52])[C:48]([N:16]1[CH2:17][C@H:18]([O:20][C:21]2[C:30]3[C:25](=[CH:26][C:27]([O:31][CH3:32])=[CH:28][CH:29]=3)[N:24]=[C:23]([N:33]3[CH:37]=[CH:36][CH:35]=[N:34]3)[CH:22]=2)[CH2:19][C@H:15]1[C:13]([NH:12][C@@H:8]([CH2:9][CH2:10][CH3:11])[C@H:7]([OH:38])[C:6]([NH:5][CH:2]1[CH2:4][CH2:3]1)=[O:39])=[O:14])=[O:49])([CH3:43])([CH3:42])[CH3:41]
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 4

HCID 81531DiisopropylethylamineHCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 51690949HCID 51690949、化合物HCID 86634502HCID 86634502、化合物

生成物 1

HCID 57872112HCID 57872112、化合物収率 84%

試薬・触媒・溶媒 2

HCID 679Dimethyl Sulfoxide溶媒HCID 962Water溶媒

実験手順

To a solution of (2S,4R)-2-((2S,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-ylcarbamoyl)-4-(7-methoxy-2-(1H-pyrazol-1-yl)quinolin-4-yloxy)pyrrolidinium chloride (6.3 g, 11.2 mmol) in dimethylsulfoxide (20 mL) was added (R)-2-(3-tert-butylureido)-3,3-dimethylbutanoic acid (2.33 g, 10.2 mmol), 2-(1H-7-Azabenzotriazol-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate (HATU, 4.74 g, 12.1 mmol) followed by diisopropylethylamine (4.95 g, 38.4 mmol), and the reaction mixture was stirred at room temperature for 3 hours under nitrogen atmosphere. Completion of the reaction was monitored by TLC analysis. The reaction mixture was diluted with water and the resulting solid was filtered and dried under reduced pressure to yield 6.3 g (71.6%) of (2S,4R)-1-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-N-((2S,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl)-4-(7-methoxy-2-(1H-pyrazol-1-yl)quinolin-4-yloxy)pyrrolidine-2-carboxamide (HPLC purity: 99.2% by area; HPLC retention time: 15.06 minutes).

後処理

  1. filtrationthe resulting solid was filtered
  2. customdried under reduced pressure

出典と根拠

ORDレコード
ord-df68751649eb4607aea20604ee7bf55b
出典データセット
uspto-grants-2013_04
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08431733B2

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