Acetic Acid → Methyl 4-[3-[(4-chlorophenyl)amino]-2-(4-methylpiperazin-1-yl)-3-oxopropyl]benzoate

https://huagongshe.com/reaction/1919891

참여 물질

역할	이름	HCID	투입량
반응물	Acetic Acid	HCID 176	—
반응물	1-Methylpiperazine	HCID 53167	—
반응물	4-Chlorophenyl isocyanide	HCID 74670	—
반응물	Methyl 4-(2-oxoethyl)benzoate	HCID 13844675	—
용매	Methanol	HCID 887	—
용매	2,2,2-Trifluoroethanol	HCID 6409	—
생성물	Methyl 4-[3-[(4-chlorophenyl)amino]-2-(4-methylpiperazin-1-yl)-3-oxopropyl]benzoate	HCID 57611860	—

반응 조건

온도	50 °C

반응 단계

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+).

출처 및 근거

DOI	10.6084/m9.figshare.5104873.v1
특허 번호	US08168658B2
출처 데이터셋	uspto-grants-2012_05
ORD ID	ord-61019d8d55cb4a5c83cdd8f1354fbb45
출처 메모	uspto-grants-2012_05