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Trifluoroacetic acid → (3S)-3-amino-4-cyclobutyl-N-cyclopropyl-2-hydroxy-butanamide trifluoroacetic acid salt

HRID 1511459
ノート
印刷プレビュー

反応式

HRID 1511459 の反応式
C(OC(=O)[NH:7][C@H:8]([CH:14]([OH:21])[C:15]([NH:17][CH:18]1[CH2:20][CH2:19]1)=[O:16])[CH2:9][CH:10]1[CH2:13][CH2:12][CH2:11]1)(C)(C)C.[F:23][C:24]([F:29])([F:28])[C:25]([OH:27])=[O:26]>ClCCl>[F:23][C:24]([F:29])([F:28])[C:25]([OH:27])=[O:26].[NH2:7][C@@H:8]([CH2:9][CH:10]1[CH2:11][CH2:12][CH2:13]1)[CH:14]([OH:21])[C:15]([NH:17][CH:18]1[CH2:20][CH2:19]1)=[O:16]
参加物実験手順後処理出典と根拠反応ノート

参加物

4

反応物 2

HCID 6422Trifluoroacetic acidHCID 57893118HCID 57893118、化合物

生成物 1

HCID 68739749(3S)-3-amino-4-cyclobutyl-N-cyclopropyl-2-hydroxy-butanamide trifluoroacetic acid salt

試薬・触媒・溶媒 1

HCID 6344Dichloromethane溶媒

実験手順

Tert-butyl-(2S)-1-cyclobutyl-4-(cyclopropylamino)-3-hydroxy-4-oxobutan-2-ylcarbamate (51 mg, 0.165 mmol) was dissolved in dichloromethane (3.0 mL) and trifluoroacetic acid (3.0 mL) was added. After stirring for 1 hour at room temperature, the reaction mixture was evaporated to dryness to give (3S)-3-amino-4-cyclobutyl-N-cyclopropyl-2-hydroxy-butanamide trifluoroacetic acid salt as a white solid. A solution of (2S,4R)-1-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-4-(7-methoxy-2-(1H-pyrazol-1-yl)quinolin-4-yloxy)pyrrolidine-2-carboxylic acid in dichloromethane/N,N-dimethylformamide (1:1, 6.0 mL) was added to the (3S)-3-amino-4-cyclobutyl-N-cyclopropyl-2-hydroxy-butanamide trifluoroacetic acid salt followed by O (7 azabenzotriazol 1 yl) 1,1,3,3 tetramethyl-uronium hexafluorophosphate (HATU) (75 mg, 0.198 mmol) and diisopropylethylamine (0.1 mL, 0.7 mmol). After 24 hours at room temperature, the reaction mixture was diluted with ethyl acetate and washed with 1N HCl, saturated sodium bicarbonate, and brine. The ethyl acetate layer was dried (magnesium sulfate), filtered and evaporated to dryness under reduced pressure. The crude product was then dissolved in dry dichloromethane (10.0 mL) and 1,1,1-triacetoxy-1,1-dihydro-1,2-benziodoxol-3(1H)-one (Dess-Martin periodinane reagent, 112 mg, 0.264 mmol) added. After stirring at room temperature for 2 hours, the reaction mixture was quenched with 0.26M sodium thiosulfate in saturated sodium bicarbonate and extracted with ethyl acetate. The combined ethyl acetate layers were then washed with saturated sodium bicarbonate and brine. Purification by preparative HPLC gave (2S,4R)-1-((S)-(3-tert-butylureido)-3,3-dimethylbutanoyl]-N-((S)-1-cyclobutyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl)-4-(7-methoxy-2-(1H-pyrazol-1-yl)-quinolin-4-yloxy)pyrrolidine-2-carboxamide in >99% purity by HPLC.

後処理

  1. customthe reaction mixture was evaporated to dryness

出典と根拠

ORDレコード
ord-94ff184b7d7b4318930f3c2bb65f0837
出典データセット
uspto-grants-2012_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08211897B2

反応ノート

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