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Hydrochloric Acid → Methyl (2S)-2-({2-[(tert-butoxycarbonyl)amino]ethyl}amino)-3-(1H-imidazol-4-yl)propanoate

HRID 497555
ノート
印刷プレビュー

反応式

HRID 497555 の反応式
[CH3:1][O:2][C:3](=[O:12])[C@H:4]([CH2:6][C:7]1[N:11]=[CH:10][NH:9][CH:8]=1)[NH2:5].C([O-])(=O)C.[Na+].O=[CH:19][CH2:20][NH:21][C:22](=[O:28])[O:23][C:24]([CH3:27])([CH3:26])[CH3:25].C([BH3-])#N.[Na+].Cl.C(=O)([O-])[O-].[Na+].[Na+]>CO>[C:24]([O:23][C:22]([NH:21][CH2:20][CH2:19][NH:5][C@@H:4]([CH2:6][C:7]1[N:11]=[CH:10][NH:9][CH:8]=1)[C:3]([O:2][CH3:1])=[O:12])=[O:28])([CH3:27])([CH3:26])[CH3:25]
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 313Hydrochloric AcidHCID 10340Sodium CarbonateHCID 517045Sodium AcetateHCID 4247255tert-butyl N-(2-oxoethyl)carbamateHCID 5003444Sodium cyanoborohydrideHCID 178501495HCID 178501495、化合物

生成物 1

HCID 178501399
Methyl (2S)-2-({2-[(tert-butoxycarbonyl)amino]ethyl}amino)-3-(1H-imidazol-4-yl)propanoate
収率 79%

試薬・触媒・溶媒 1

HCID 887Methanol溶媒

実験手順

L-Histidine methyl ester (7.93 g, 32.8 mmol) and sodium acetate (10.75 g, 131 mmol) were added to a stirred solution of tert-butyl N-(2-oxoethyl)carbamate (5.22 g, 32.8 mmol) in methanol (100 ml). 4 Å molecular sieves and sodium cyanoborohydride (4.12 g, 65.6 mmol) were added and the mixture was stirred at room temperature for 17 hours. Aqueous hydrochloric acid (2N, 4 ml) was added and the mixture was then basified with saturated aqueous sodium carbonate solution to pH=10. The mixture was filtered to remove solid which was washed with methanol. Methanol was removed by evaporation under reduced pressure and the residual aqueous solution was extracted with ethyl acetate (2×300 ml). The combined organic extracts were then dried (MgSO4), filtered, and concentrated under reduced pressure. The resultant residue was purified by column chromatography on silica gel, eluting with a solvent gradient of dichloromethane:methanol (96:4 to 92:8), to afford the title compound as a colorless oil, 8.07 g, 79% yield.

後処理

  1. filtrationThe mixture was filtered
  2. customto remove solid which
  3. washwas washed with methanol
  4. customMethanol was removed by evaporation under reduced pressure
  5. extractionthe residual aqueous solution was extracted with ethyl acetate (2×300 ml)
  6. dry with materialThe combined organic extracts were then dried (MgSO4)
  7. filtrationfiltered
  8. concentrationconcentrated under reduced pressure
  9. customThe resultant residue was purified by column chromatography on silica gel
  10. washeluting with a solvent gradient of dichloromethane:methanol (96:4 to 92:8)

出典と根拠

ORDレコード
ord-d32c5c04ec1f4be7978cd3cf53678716
出典データセット
uspto-grants-2005_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06949577B2

反応ノート

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