Acetic Acid → HCID 57611860、化合物

HRID 1919891

反応式

HRID 1919891 の反応式
[CH:1]([CH2:3][C:4]1[CH:13]=[CH:12][C:7]([C:8]([O:10][CH3:11])=[O:9])=[CH:6][CH:5]=1)=O.[Cl:14][C:15]1[CH:20]=[CH:19][C:18]([N+:21]#[C-:22])=[CH:17][CH:16]=1.[CH3:23][N:24]1[CH2:29][CH2:28][NH:27][CH2:26][CH2:25]1.CC(O)=[O:32]>C(O)C(F)(F)F.CO>[Cl:14][C:15]1[CH:20]=[CH:19][C:18]([NH:21][C:22](=[O:32])[CH:1]([N:27]2[CH2:28][CH2:29][N:24]([CH3:23])[CH2:25][CH2:26]2)[CH2:3][C:4]2[CH:13]=[CH:12][C:7]([C:8]([O:10][CH3:11])=[O:9])=[CH:6][CH:5]=2)=[CH:17][CH:16]=1

参加物

7

反応物 4

HCID 176Acetic AcidHCID 531671-MethylpiperazineHCID 746704-Chlorophenyl isocyanideHCID 13844675Methyl 4-(2-oxoethyl)benzoate

生成物 1

HCID 57611860HCID 57611860、化合物

試薬・触媒・溶媒 2

HCID 887Methanol溶媒HCID 64092,2,2-Trifluoroethanol溶媒

反応条件

温度
50 °C

実験手順

Methyl 4-formylmethylbenzoate (52.3 mg, 0.294 mmol), 4-chlorophenyl isocyanide (40.4 mg, 0.294 mmol), N-methylpiperazine (39.1 μL, 0.352 mmol) and AcOH (16.6 μL, 0.294 mmol) were dissolved in 100 μL of trifluoroethanol and heated at 50° C. for 3 hours. The reaction mixture was diluted with 2 mL of methanol and purified by reverse phase HPLC to afford the desired product. MS cal'd 416.2 (MH+), exp 416.2 (MH+).

後処理

  1. custompurified by reverse phase HPLC

出典と根拠

ORDレコード
ord-61019d8d55cb4a5c83cdd8f1354fbb45
出典データセット
uspto-grants-2012_05
特許番号
US08168658B2

関連ノート

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