Acetic Acid → HCID 57611860, 화합물

HRID 1919891

반응식

HRID 1919891 반응식
[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

참가 물질

7

반응물 4

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

생성물 1

HCID 57611860HCID 57611860, 화합물

시약·촉매·용매 2

HCID 887Methanol용매HCID 64092,2,2-Trifluoroethanol용매

반응 조건

온도
50 °C

실험 절차

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+).

후처리

  1. custompurified by reverse phase HPLC

출처 및 근거

ORD 기록
ord-61019d8d55cb4a5c83cdd8f1354fbb45
출처 데이터셋
uspto-grants-2012_05
특허 번호
US08168658B2

연결된 노트

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