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Acetone → (R)-3-[N-(5'-Chloro-2'-fluorobiphenyl-4-ylmethyl)-N'-(3-methoxyisoxazole-5-carbonyl)hydrazino]-2-hydroxypropionic Acid 2-Methoxy-Ethyl Ester

HRID 541520
ノート
印刷プレビュー

反応式

HRID 541520 の反応式
Br[CH2:2][CH2:3][O:4][CH3:5].[Cl:6][C:7]1[CH:8]=[CH:9][C:10]([F:37])=[C:11]([C:13]2[CH:18]=[CH:17][C:16]([CH2:19][N:20]([CH2:31][C@@H:32]([OH:36])[C:33]([OH:35])=[O:34])[NH:21][C:22]([C:24]3[O:28][N:27]=[C:26]([O:29][CH3:30])[CH:25]=3)=[O:23])=[CH:15][CH:14]=2)[CH:12]=1.CCN(C(C)C)C(C)C.CC(C)=O.[Na+].[I-]>>[CH3:5][O:4][CH2:3][CH2:2][O:35][C:33](=[O:34])[C@H:32]([OH:36])[CH2:31][N:20]([CH2:19][C:16]1[CH:15]=[CH:14][C:13]([C:11]2[CH:12]=[C:7]([Cl:6])[CH:8]=[CH:9][C:10]=2[F:37])=[CH:18][CH:17]=1)[NH:21][C:22]([C:24]1[O:28][N:27]=[C:26]([O:29][CH3:30])[CH:25]=1)=[O:23]
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 5

HCID 180AcetoneHCID 5238Sodium Iodide3 回HCID 809722-Bromoethyl methyl ether3 回HCID 81531Diisopropylethylamine3 回HCID 67972936(R)-3-[N-(5'-Chloro-2'-fluorobiphenyl-4-ylmethyl)-N'-(3-methoxyisoxazole-5-carbonyl)hydrazino]-2-hydroxypropionic Acid

生成物 1

HCID 86705098
(R)-3-[N-(5'-Chloro-2'-fluorobiphenyl-4-ylmethyl)-N'-(3-methoxyisoxazole-5-carbonyl)hydrazino]-2-hydroxypropionic Acid 2-Methoxy-Ethyl Ester
収率 11.6%

反応条件

温度
60 °C

実験手順

1-Bromo-2-methoxyethane (12.2 μL, 129 μmol) was added to a mixture of (R)-3-[N-(5′-chloro-2′-fluorobiphenyl-4-ylmethyl)-N′-(3-methoxyisoxazole-5-carbonyl)hydrazino]-2-hydroxypropionic acid (20.0 mg, 43 μmol) and DIPEA (45.1 μL, 259 μmol) in acetone (1.0 mL, 14 mmol). The resulting mixture was heated at 60° C. for 4 hours. NaI (19.4 mg, 129 μmol) was added and the reaction was monitored for 2 hours. Additional 1-bromo-2-methoxyethane (3 eq.), DIEA (4 eq.), and NaI (3 eq.) were added and the heating continued overnight. Additional 1-bromo-2-methoxyethane (3 eq.), NaI (3 eq.), and DIEA (3 eq.) were added and heating continued overnight. The mixture was then concentrated, and the residue was dissolved in AcOH (1.5 mL), filtered and purified by reverse phase preparative HPLC to yield the title compound (2.6 mg, purity 99%). MS m/z [M+H]+ calc'd for C24H25ClFN3O7, 522.14. found 522.4.

後処理

  1. waitthe heating continued overnight
  2. temperatureheating continued overnight
  3. concentrationThe mixture was then concentrated
  4. dissolutionthe residue was dissolved in AcOH (1.5 mL)
  5. filtrationfiltered
  6. custompurified by reverse phase preparative HPLC

出典と根拠

ORDレコード
ord-fe9109bee3c1427abef5b59d9ed2cbf5
出典データセット
uspto-grants-2014_10
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08871792B2

反応ノート

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