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1,2-Dichloroethane → (R)-3-[N-(5'-Chloro-2'-fluorobiphenyl-4-ylmethyl)-N'-(3-methoxyisoxazole-5-carbonyl)hydrazino]-2-hydroxypropionic Acid 2-Morpholin-4-ylethyl Ester

HRID 541523
ノート
印刷プレビュー

反応式

HRID 541523 の反応式
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([F:32])=[C:6]([C:8]2[CH:13]=[CH:12][C:11]([CH2:14][N:15]([CH2:26][C@@H:27]([OH:31])[C:28]([OH:30])=[O:29])[NH:16][C:17]([C:19]3[O:23][N:22]=[C:21]([O:24][CH3:25])[CH:20]=3)=[O:18])=[CH:10][CH:9]=2)[CH:7]=1.C(Cl)CCl.C1C=C2N=NN(O)C2=CC=1.O.C(Cl)Cl.[N:51]1([CH2:57][CH2:58]O)[CH2:56][CH2:55][O:54][CH2:53][CH2:52]1>>[N:51]1([CH2:57][CH2:58][O:29][C:28](=[O:30])[C@H:27]([OH:31])[CH2:26][N:15]([CH2:14][C:11]2[CH:10]=[CH:9][C:8]([C:6]3[CH:7]=[C:2]([Cl:1])[CH:3]=[CH:4][C:5]=3[F:32])=[CH:13][CH:12]=2)[NH:16][C:17]([C:19]2[O:23][N:22]=[C:21]([O:24][CH3:25])[CH:20]=2)=[O:18])[CH2:56][CH2:55][O:54][CH2:53][CH2:52]1
参加物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 111,2-DichloroethaneHCID 6344DichloromethaneHCID 611632-MorpholinoethanolHCID 27960291-Hydroxybenzotriazole hydrateHCID 67972936(R)-3-[N-(5'-Chloro-2'-fluorobiphenyl-4-ylmethyl)-N'-(3-methoxyisoxazole-5-carbonyl)hydrazino]-2-hydroxypropionic Acid

生成物 1

HCID 86705101
(R)-3-[N-(5'-Chloro-2'-fluorobiphenyl-4-ylmethyl)-N'-(3-methoxyisoxazole-5-carbonyl)hydrazino]-2-hydroxypropionic Acid 2-Morpholin-4-ylethyl Ester
収率 7.1%

実験手順

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 mmol), EDC (45.8 μL, 259 μmol) and HOBt hydrate (39.6 mg, 259 μmol) in DCM (0.5 mL, 8 mmol) was stirred at room temperature for 10 minutes. 4-Morpholineethanol (41.8 μL, 345 μmol) was added, and the resulting mixture was stirred at room temperature overnight. The mixture was concentrated and the residue was dissolved in AcOH (1.5 mL), filtered, and purified by reverse phase preparative HPLC to yield the title compound (14.1 mg) as a TFA salt. MS m/z [M+H]+ calc'd for C22H39ClFN4O2, 577.18. found 577.

後処理

  1. stirringthe resulting mixture was stirred at room temperature overnight
  2. concentrationThe mixture was concentrated
  3. dissolutionthe residue was dissolved in AcOH (1.5 mL)
  4. filtrationfiltered
  5. custompurified by reverse phase preparative HPLC

出典と根拠

ORDレコード
ord-0c08c96ed4764535b5af67af8bea0255
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

読み込み中…

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