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2-Methyl-2-butene → 5-Benzyloxycarbonylamino-6-oxo-2-phenyl-1,6-dihydropyrimidin-1-ylacetic acid

HRID 353336
ノート
印刷プレビュー

反応式

HRID 353336 の反応式
[CH2:1]([O:8][C:9]([NH:11][C:12]1[C:17](=[O:18])[N:16]([CH2:19][CH:20]=[O:21])[C:15]([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)=[N:14][CH:13]=1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CC(=CC)C.Cl([O-])=[O:34].[Na+].O.P([O-])(O)(O)=O.[Na+]>O1CCCC1.C(O)(C)(C)C.O.[Au]>[CH2:1]([O:8][C:9]([NH:11][C:12]1[C:17](=[O:18])[N:16]([CH2:19][C:20]([OH:34])=[O:21])[C:15]([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)=[N:14][CH:13]=1)=[O:10])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

9

反応物 4

HCID 105532-Methyl-2-buteneHCID 516949Sodium Phosphate, Monobasic, MonohydrateHCID 10361338Benzyl (6-oxo-1-(2-oxoethyl)-2-phenyl-1,6-dihydropyrimidin-5-yl)carbamateHCID 23668197Sodium Chlorite

生成物 1

HCID 102491135-Benzyloxycarbonylamino-6-oxo-2-phenyl-1,6-dihydropyrimidin-1-ylacetic acid収率 88%

試薬・触媒・溶媒 4

HCID 23985Gold触媒
HCID 962Water溶媒
HCID 6386tert-Butanol溶媒
HCID 8028Tetrahydrofuran溶媒

実験手順

A solution of crude [5-[(benzyloxycarbonyl)amino]-2-phenyl-6-oxo-1,6-dihydro-1-pyrimidinyl]acetaldehyde (15.30 g, 42.11 mmol) in 198.0 mL of tetrahydrofuran, t-butyl alcohol, and 2-methyl-2-butene (1:1:1.3, 0.21 M) was cooled to 0° C. The solution was then slowly added a solution of sodium chlorite (29.94 g, 331.1 mmol) and sodium dihydrogenphosphate monohydrate (35.42 g, 256.7 mmol) in 102.0 mL of water (3.2 M based on sodium chlorite). The resulting gold colored, biphasic solution was stirred for 10 minutes and the cold bath was removed. The reaction was stirred for 1 hour at room temperature. The volatiles were removed under reduced pressure. The resulting solution was diluted with water (200 mL) and the pH was adjusted to 3 by addition of sat NaHCO3 and 1 N HCl. The aqueous solution was extracted by tetrahydrofuran, dichloromethane (1:2, 4×180 mL). The combined organic solutions were dried (MgSO4), filtered, and concentrated to give the crude product. Purification by trituration with ethyl ether gave an 88% yield of [5-[(benzyloxycarbonyl)amino]-2-phenyl-6-oxo-1,6-dihydro 1-pyrimidinyl]acetic acid as a white solid: 1H NMR (300 MHz, d-DMSO) δ 13.34 (br s, 1H), 9.03 (s, 1H), 7.57-7.34 (m, 10H), 5.23 (s, 2H), 4.56 (s, 2H); 13C NMR (75 MHz, d-DMSO) δ 169.4, 158.0, 154.6, 154.3, 137.1, 134.8, 130.9, 129.4, 129.1, 128.78, 128.72, 128.50, 125.5, 67.0, 48.8; HRMS (EI) calcd for C20H18N3O5 380.1246, found 380.1246.

後処理

  1. customthe cold bath was removed
  2. stirringThe reaction was stirred for 1 hour at room temperature
  3. customThe volatiles were removed under reduced pressure
  4. additionThe resulting solution was diluted with water (200 mL)
  5. additionthe pH was adjusted to 3 by addition of sat NaHCO3 and 1 N HCl
  6. extractionThe aqueous solution was extracted by tetrahydrofuran, dichloromethane (1:2, 4×180 mL)
  7. dry with materialThe combined organic solutions were dried (MgSO4)
  8. filtrationfiltered
  9. concentrationconcentrated
  10. customto give the crude product
  11. customPurification by trituration with ethyl ether

出典と根拠

ORDレコード
ord-d67fe0d7382642b4979a69227c26461c
出典データセット
uspto-grants-2004_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06750342B1

反応ノート

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