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Acetic Acid → Ethyl 5-[2-[(4-chlorophenyl)amino]-1-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxylate

HRID 1919885
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HRID 1919885 반응식
[CH:1]([C:3]1[S:7][C:6]([C:8]([O:10][CH2:11][CH3:12])=[O:9])=[CH:5][CH:4]=1)=O.[CH3:13][N:14]1[CH2:19][CH2:18][NH:17][CH2:16][CH2:15]1.[Cl:20][C:21]1[CH:26]=[CH:25][C:24]([N+:27]#[C-:28])=[CH:23][CH:22]=1.C(O)(=[O:31])C>C(O)C(F)(F)F>[Cl:20][C:21]1[CH:26]=[CH:25][C:24]([NH:27][C:28](=[O:31])[CH:1]([C:3]2[S:7][C:6]([C:8]([O:10][CH2:11][CH3:12])=[O:9])=[CH:5][CH:4]=2)[N:17]2[CH2:18][CH2:19][N:14]([CH3:13])[CH2:15][CH2:16]2)=[CH:23][CH:22]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 176Acetic AcidHCID 531671-MethylpiperazineHCID 746704-Chlorophenyl isocyanideHCID 10797570Ethyl 5-formylthiophene-2-carboxylate

생성물 1

HCID 57611900Ethyl 5-[2-[(4-chlorophenyl)amino]-1-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxylate

시약·촉매·용매 1

HCID 6409
2,2,2-Trifluoroethanol
용매

실험 절차

Ethyl 5-formylthiophene-2-carboxylate (0.50 g, 2.71 mmol) was made 2.25 M in anhydrous trifluoroethanol and to this stirring solution was added N-methylpiperazine (0.33 g, 3.26 mmol), 1-chloro-4-isocyanobenzene (0.45 g, 3.26 mmol) and acetic acid (0.20 g, 3.26 mmol). The resulting mixture was stirred at ambient temperature overnight. The reaction mixture was concentrated in vacuo then purified by MPLC to give the desired product. MS: cal'd 422, 424 (MH+), exp 422, 424 (MH+).

후처리

  1. concentrationThe reaction mixture was concentrated in vacuo
  2. customthen purified by MPLC

출처 및 근거

ORD 기록
ord-540ccf93ef494caea6b5ba8d356c35ac
출처 데이터셋
uspto-grants-2012_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08168658B2

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