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Hydrochloric Acid → 2-[4-(2-Chloro-3-methoxyphenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-fluoro-4-methyl-pentanoic acid-[1-((R)-2,3-dihydroxy-propyl)-1H-pyrazol-3-yl]-amide

HRID 19185
ノート
印刷プレビュー

反応式

HRID 19185 の反応式
CC1(C)[O:6][C@H:5]([CH2:7][N:8]2[CH:12]=[CH:11][C:10]([NH:13][C:14](=[O:37])[CH:15]([N:21]3[CH2:25][C:24]([O:26][C:27]4[CH:32]=[CH:31][CH:30]=[C:29]([O:33][CH3:34])[C:28]=4[Cl:35])=[CH:23][C:22]3=[O:36])[CH2:16][C:17]([F:20])([CH3:19])[CH3:18])=[N:9]2)[CH2:4][O:3]1.Cl.O[C@@H](CO)CN1C=CC(NC(=O)C(N2CC(OC3C=CC=C(OCC)C=3Cl)=CC2=O)CC(F)(C)C)=N1>O1CCCC1.C(OCC)(=O)C>[OH:6][C@@H:5]([CH2:4][OH:3])[CH2:7][N:8]1[CH:12]=[CH:11][C:10]([NH:13][C:14](=[O:37])[CH:15]([N:21]2[CH2:25][C:24]([O:26][C:27]3[CH:32]=[CH:31][CH:30]=[C:29]([O:33][CH3:34])[C:28]=3[Cl:35])=[CH:23][C:22]2=[O:36])[CH2:16][C:17]([F:20])([CH3:19])[CH3:18])=[N:9]1
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

6

反応物 3

HCID 313Hydrochloric AcidHCID 668998212-[4-(2-chloro-3-methoxy-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-fluoro-4-methyl-pentanoic acid [1-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl-methyl)-1H-pyrazol-3-yl]-amideHCID 66900077HCID 66900077、化合物

生成物 1

HCID 579200982-[4-(2-Chloro-3-methoxyphenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-fluoro-4-methyl-pentanoic acid-[1-((R)-2,3-dihydroxy-propyl)-1H-pyrazol-3-yl]-amide

試薬・触媒・溶媒

2
HCID 8028Tetrahydrofuran溶媒HCID 8857Ethyl Acetate溶媒

反応条件

温度
25 °C

実験手順

A solution of 2-[4-(2-chloro-3-methoxy-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-fluoro-4-methyl-pentanoic acid [1-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl-methyl)-1H-pyrazol-3-yl]-amide (390 mg, 0.71 mmol) in tetrahydrofuran (10 mL) was treated with 2N aqueous hydrochloric acid solution (10 mL). The reaction mixture was stirred at 25° C. for 4 h. The reaction mixture was diluted with ethyl acetate, washed with water, saturated sodium bicarbonate solution, a saturated sodium chloride solution and dried over magnesium sulfate. The organic layer was concentrated to afford, 2-[4-(2-chloro-3-ethoxy-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-fluoro-4-methyl-pentanoic acid [1-((R)-2,3-dihydroxy-propyl)-1H-pyrazol-3-yl]-amide (300 mg, 83%) as a white solid: LR-ES-MS m/z calculated for C23H28ClFN4O6 [M]+ 510, observed 511 [M+H]+; 1H NMR (300 MHz, DMSO-d6) δ ppm 1.27, 1.32 (2×d, J=3.0 Hz, 3H), 1.36, 1.39 (2×d, J=3.0 Hz, 3H), 1.99-2.34 (m, 2H), 3.19-3.33 (m, 2H), 3.69-3.89 (m, 2H), 3.90 (s, 3H), 4.09 (dd, J=13.6, 3.6 Hz, 1H), 4.26 (d, J=18.4 Hz, 1H), 4.37-4.58 (m, 1H), 4.71 (t, J=5.6 Hz, 1H), 4.77, 4.80 (2×s, 1H), 4.94 (d, J=5.1 Hz, 1H), 5.08 (dd, J=9.5, 4.4 Hz, 1H), 6.41 (d, J=2.1 Hz, 1H), 7.00, 7.06 (2×d, J=8.2 Hz, 1H), 7.13 (d, J=8.2 Hz, 1H), 7.41 (t, J=8.2 Hz, 1H), 7.54 (d, J=2.1 Hz, 1H), 10.68, 10.79 (2×s, 1H)

後処理

  1. washwashed with water, saturated sodium bicarbonate solution
  2. dry with materiala saturated sodium chloride solution and dried over magnesium sulfate
  3. concentrationThe organic layer was concentrated
  4. customto afford

出典と根拠

ORDレコード
ord-c96153a04e204b36b985453367008f36
出典データセット
uspto-grants-2010_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07741327B2

反応ノート

読み込み中…

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