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Acetyl chloride → 5-{[(3S)-1-acetyl-3-pyrrolidinyl]methyl}-4-(4-bromophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

HRID 525240
ノート
印刷プレビュー

反応式

HRID 525240 の反応式
Cl.[Br:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]2[C:13]([CH2:14][C@@H:15]3[CH2:19][CH2:18][NH:17][CH2:16]3)=[N:12][NH:11][C:10]2=[O:20])=[CH:5][CH:4]=1.C(N(CC)C(C)C)(C)C.[C:30]([Cl:33])(=[O:32])[CH3:31]>ClCCl>[C:30]([Cl:33])(=[O:32])[CH3:31].[C:30]([N:17]1[CH2:18][CH2:19][C@@H:15]([CH2:14][C:13]2[N:9]([C:6]3[CH:7]=[CH:8][C:3]([Br:2])=[CH:4][CH:5]=3)[C:10](=[O:20])[NH:11][N:12]=2)[CH2:16]1)(=[O:32])[CH3:31]
参加物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 6367Acetyl chloride2 回HCID 81531DiisopropylethylamineHCID 673774324-(4-bromophenyl)-5-[(3S)-3-pyrrolidinylmethyl]-2,4-dihydro-3H-1,2,4-triazol-3-one Hydrochloride

生成物 2

HCID 6367Acetyl chlorideHCID 673757745-{[(3S)-1-acetyl-3-pyrrolidinyl]methyl}-4-(4-bromophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one収率 101.1%

試薬・触媒・溶媒

1
HCID 6344Dichloromethane溶媒4 回

実験手順

In 4 mL screwcap vial was placed 4-(4-bromophenyl)-5-[(3S)-3-pyrrolidinylmethyl]-2,4-dihydro-3H-1,2,4-triazol-3-one hydrochloride (0.417 mmol) and 1 mL dichloromethane. N,N-Diisopropylethylamine (1.374 mmol) was added. The vial contents were stirred for 1 min. In a separate vial, acetyl chloride (0.417 mmol) was diluted with 1 mL dichloromethane and added to the prior solution dropwise via pipette. The vial was capped and the reaction was stirred at room temperature overnight. Analysis by LCMS displayed the reaction had only progressed to 70% completion. A solution of acetyl chloride (0.050 mL) in 1 mL dichloromethane was prepared and 0.100 mL of this solution was added to the reaction. After 1 h, the reaction had progressed to 90% completion via LCMS analysis. Another 0.100 mL of the acetyl chloride solution in dichloromethane was added to the reaction. After 1 h, LCMS analysis displayed the reaction was complete. The solution was washed with saturated aq NH4Cl. The organic layer was separated, dried over sodium sulfate, filtered, and concentrated in vacuo. Purification of the residue by silica gel chromatography (0-20% methanol:ethyl acetate) afforded the title compound (77 mg, 50% yield). MS(ES)+ m/e 365.0, 366.7 [M+H]+.

後処理

  1. additionadded to the prior solution dropwise via pipette
  2. customThe vial was capped
  3. stirringthe reaction was stirred at room temperature overnight
  4. waitAfter 1 h
  5. waitAfter 1 h
  6. washThe solution was washed with saturated aq NH4Cl
  7. customThe organic layer was separated
  8. dry with materialdried over sodium sulfate
  9. filtrationfiltered
  10. concentrationconcentrated in vacuo
  11. customPurification of the residue by silica gel chromatography (0-20% methanol:ethyl acetate)

出典と根拠

ORDレコード
ord-a11a972466cf492aac33a99c75c92a9f
出典データセット
uspto-grants-2016_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09340529B2

反応ノート

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