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1,1'-Carbonyldiimidazole → HCID 66720877、化合物

HRID 1639912
ノート
印刷プレビュー

反応式

HRID 1639912 の反応式
C1N=CN(C(N2C=NC=C2)=O)C=1.[Cl:13][C:14]1[CH:19]=[CH:18][C:17]([C:20]2[C:21]([C:29]3[C:34]([O:35][CH3:36])=[CH:33][CH:32]=[CH:31][C:30]=3[O:37][CH3:38])=[CH:22][CH:23]=[C:24]([C:26](O)=[O:27])[CH:25]=2)=[CH:16][C:15]=1[O:39][CH2:40][CH2:41][CH2:42][N:43]([CH3:45])[CH3:44].[NH2:46][CH:47]([CH:52]([CH3:54])[CH3:53])[CH2:48][C:49]([OH:51])=[O:50]>C1COCC1.CN(C=O)C>[ClH:13].[Cl:13][C:14]1[CH:19]=[CH:18][C:17]([C:20]2[C:21]([C:29]3[C:30]([O:37][CH3:38])=[CH:31][CH:32]=[CH:33][C:34]=3[O:35][CH3:36])=[CH:22][CH:23]=[C:24]([C:26]([NH:46][CH:47]([CH:52]([CH3:54])[CH3:53])[CH2:48][C:49]([OH:51])=[O:50])=[O:27])[CH:25]=2)=[CH:16][C:15]=1[O:39][CH2:40][CH2:41][CH2:42][N:43]([CH3:44])[CH3:45]
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 682631,1'-Carbonyldiimidazole2 回HCID 193411beta-LeucineHCID 66720898HCID 66720898、化合物

生成物 1

HCID 66720877HCID 66720877、化合物

試薬・触媒・溶媒 2

HCID 6228Dimethylformamide溶媒HCID 8028Tetrahydrofuran溶媒2 回

反応条件

温度
55 °C

実験手順

Add 141 mg (0.87 mmol) of CDI to a solution of 315 mg (0.67 mmol) of 4″-chloro-3″-[3-(dimethylamino)propoxy]-2,6-dimethoxy-1,1′:2′,1″-terphenyl-4′-carboxylic acid in 7 mL of anhydrous THF, and stir the reaction mixture at 55° C. for 1 h under argon. Add 70 mg (0.43 mmol) of carbonyl-1,1′-diimidazole and continue the reaction for 1 h at 50° C. Then add a suspension of 97 mg (0.74 mmol) of racemic 3-amino-4-methylpentanoic acid in a mixture of 4 mL of THF and 0.8 mL of DMF and continue stirring for 15 h at 55° C. After concentration under reduced pressure, distribute the residue obtained in 30 mL of a 2:1 DCM/water mixture. Wash the organic phase with 10 mL of water, dry over magnesium sulphate (MgSO4) and concentrate under reduced pressure. Purify the residue obtained by silica gel column chromatography, eluting with a DCM/methanol gradient from 0 to 5% of methanol. After concentration under reduced pressure, solidify the residue in ether, filter on a frit and wash with ether. We thus obtain 91 mg of 3-[({4″-chloro-3″-[3-(dimethylamino)propoxy]-2,6-dimethoxy-1,1′:2′,1″-terphenyl-4′-yl}carbonyl)amino]-4-methylpentanoic acid hydrochloride in the form of white powder.

後処理

  1. customthe reaction for 1 h at 50° C
  2. additionThen add
  3. stirringcontinue stirring for 15 h at 55° C
  4. concentrationAfter concentration under reduced pressure
  5. customobtained in 30 mL of a 2:1 DCM/water mixture
  6. washWash the organic phase with 10 mL of water
  7. dry with materialdry over magnesium sulphate (MgSO4)
  8. concentrationconcentrate under reduced pressure
  9. customPurify the residue
  10. customobtained by silica gel column chromatography
  11. washeluting with a DCM/methanol gradient from 0 to 5% of methanol
  12. concentrationAfter concentration under reduced pressure
  13. filtrationfilter on a frit
  14. washwash with ether

出典と根拠

ORDレコード
ord-d8070c3c6d2e444495c2bf560d8bd3f4
出典データセット
uspto-grants-2012_02
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08110579B2

反応ノート

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