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1,2-Dichloroethane → N-[5-chloro-2-(1H-tetraazol-1-yl)benzyl]-1-(2-hydroxy-2-pyridin-2-ylpropanoyl)-L-prolinamide

HRID 857757
ノート
印刷プレビュー

反応式

HRID 857757 の反応式
[OH:1][CH:2]([C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][N:7]=1)[C:3]([OH:5])=O.[Na+].[Cl-].[Cl:14][C:15]1[CH:16]=[CH:17][C:18]([N:30]2[CH:34]=[N:33][N:32]=[N:31]2)=[C:19]([CH:29]=1)[CH2:20][NH:21][C:22](=[O:28])[C@@H:23]1[CH2:27][CH2:26][CH2:25][NH:24]1.[CH:35]1C=C2N=NN(O)C2=CC=1.O.C(Cl)CCl.C(N(C(C)C)CC)(C)C>CN(C=O)C>[Cl:14][C:15]1[CH:16]=[CH:17][C:18]([N:30]2[CH:34]=[N:33][N:32]=[N:31]2)=[C:19]([CH:29]=1)[CH2:20][NH:21][C:22](=[O:28])[C@@H:23]1[CH2:27][CH2:26][CH2:25][N:24]1[C:3](=[O:5])[C:2]([OH:1])([C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][N:7]=1)[CH3:35]
参加物実験手順後処理出典と根拠反応ノート

参加物

8

反応物 6

HCID 111,2-DichloroethaneHCID 5234Sodium ChlorideHCID 81531DiisopropylethylamineHCID 4150612-Hydroxy-2-(2-pyridyl)acetic acidHCID 27960291-Hydroxybenzotriazole hydrateHCID 69655818N-[5-chloro-2-(1H-tetraazol-1-yl)benzyl]-L-prolinamide

生成物 1

HCID 58760167
N-[5-chloro-2-(1H-tetraazol-1-yl)benzyl]-1-(2-hydroxy-2-pyridin-2-ylpropanoyl)-L-prolinamide

試薬・触媒・溶媒 1

HCID 6228Dimethylformamide溶媒

実験手順

To a solution of 2-hydroxy-2-(2-pyridyl)acetic acid from the previous step (160 mg as a 1:1 mixture with NaCl, 0.71 mmol), N-[5-chloro-2-(1H-tetraazol-1-yl)benzyl]-L-prolinamide (215 mg, 0.71 mmol, HPLC RT=2.25 min, method A), and HOBt hydrate (110 mg, 0.71 mmol) in DMF (5 mL) was added EDC (175 mg, 0.92 mmol). Diisopropylethylamine was then added slowly in portions (˜0.1 mL total) to bring the pH of the solution to 6–7 as measured on wetted E. Merck pH indicator strips. The mixture was stirred at ambient temperature for 18 h, and the solvent was removed under reduced pressure. The residue was partitioned between EtOAc (75 mL) and saturated aqueous NaHCO3 (20 mL). The EtOAc layer was separated, dried over anhydrous MgSO4, and filtered. The filtrate solvent was removed under reduced pressure and the residue was purified by pressurized silica gel column chromatography using a gradient elution of 2%, 3%, 4%, 5%, 6% MeOH in dichloromethane. Product-containing fractions were combined and the solvent was removed under reduced pressure to give two diastereomers of the title compound, both as amorphous solids (first eluting diastereomer: 96 mg; TLC Rf=0.3 (96:4 CH2Cl2:MeOH); HPLC RT=2.32 min, method A; LC-MS m/z=456; second eluting diastereomer: TLC Rf=0.2 (96:4 CH2Cl2:MeOH); HPLC RT=2.33 min, method A; LCMS m/z=456).

後処理

  1. customthe solvent was removed under reduced pressure
  2. customThe residue was partitioned between EtOAc (75 mL) and saturated aqueous NaHCO3 (20 mL)
  3. customThe EtOAc layer was separated
  4. dry with materialdried over anhydrous MgSO4
  5. filtrationfiltered
  6. customThe filtrate solvent was removed under reduced pressure
  7. customthe residue was purified by pressurized silica gel column chromatography
  8. washa gradient elution of 2%, 3%, 4%, 5%, 6% MeOH in dichloromethane
  9. customthe solvent was removed under reduced pressure

出典と根拠

ORDレコード
ord-d8d43be467254a788cb81fac8b2ca48f
出典データセット
uspto-grants-2006_12
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07144899B2

反応ノート

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