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Succinic anhydride → (R)-4-(1-(3'-chlorobiphenyl-4-yl)-4-ethoxy-4-oxobutan-2-ylamino)-4-oxobutanoic acid

HRID 881806
ノート
印刷プレビュー

反応式

HRID 881806 の反応式
Cl.[NH2:2][C@H:3]([CH2:10][C:11]1[CH:16]=[CH:15][C:14]([C:17]2[CH:22]=[CH:21][CH:20]=[C:19]([Cl:23])[CH:18]=2)=[CH:13][CH:12]=1)[CH2:4][C:5]([O:7][CH2:8][CH3:9])=[O:6].[C:24]1(=[O:30])[O:29][C:27](=[O:28])[CH2:26][CH2:25]1.CCN(C(C)C)C(C)C>ClCCl>[Cl:23][C:19]1[CH:18]=[C:17]([C:14]2[CH:15]=[CH:16][C:11]([CH2:10][C@@H:3]([NH:2][C:24](=[O:30])[CH2:25][CH2:26][C:27]([OH:29])=[O:28])[CH2:4][C:5]([O:7][CH2:8][CH3:9])=[O:6])=[CH:12][CH:13]=2)[CH:22]=[CH:21][CH:20]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

5

反応物 3

HCID 7922Succinic anhydrideHCID 81531DiisopropylethylamineHCID 86648190(R)-ethyl 3-amino-4-(3'-chlorobiphenyl-4-yl)butanoate hydrochloride

生成物 1

HCID 49822224(R)-4-(1-(3'-chlorobiphenyl-4-yl)-4-ethoxy-4-oxobutan-2-ylamino)-4-oxobutanoic acid収率 54%

試薬・触媒・溶媒 1

HCID 6344Dichloromethane溶媒

実験手順

A solution of (R)-ethyl 3-amino-4-(3′-chlorobiphenyl-4-yl)butanoate hydrochloride (400 mg, 1.13 mmol), succinic anhydride (136 mg, 1.36 mmol) and DIPEA (0.237 mL, 1.36 mmol) in dichloromethane (5 mL) is allowed to stir for 2.5 hours. The reaction is quenched with 1 M aqueous HCl and extracted with dichloromethane. The organic layer is separated and concentrated under reduced pressure. The resulting residue is purified by preparative HPLC using a gradient of 20% MeCN/water (0.1% TFA) to 100% MeCN to give (R)-4-(1-(3′-chlorobiphenyl-4-yl)-4-ethoxy-4-oxobutan-2-ylamino)-4-oxobutanoic acid (255 mg). HPLC retention time=1.15 minutes (condition B); MS (m+1)=418.0; 1H NMR (400 MHz, CHLOROFORM-d) δ ppm 1.29 (t, J=7.08 Hz, 3 H) 2.46-2.58 (m, 4 H) 2.64-2.67 (m, 2 H) 2.87 (A of ABX, Jab=13.6 Hz, Jbx=7.8 Hz, 1 H) 2.99 (B of ABX, Jab=13.6 Hz, Jbx=6.6 Hz, 1 H) 4.12-4.24 (m, 2 H) 4.47-4.55 (m, 1 H) 6.50 (br d, J=8.8 Hz, 1 H) 7.24-7.37 (m, 4 H) 7.43-7.46 (m, 1 H) 7.48-7.52 (m, 2H) 7.55-7.56 (m, 1 H).

後処理

  1. customThe reaction is quenched with 1 M aqueous HCl
  2. extractionextracted with dichloromethane
  3. customThe organic layer is separated
  4. concentrationconcentrated under reduced pressure
  5. customThe resulting residue is purified by preparative HPLC

出典と根拠

ORDレコード
ord-18c30df7f85f44768d9f8b17ef8c669b
出典データセット
uspto-grants-2015_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08993631B2

反応ノート

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