Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 1919894생성일: 2026년 10월 27일
Acetic Acid → Methyl 4-[4-[(4-chlorophenyl)amino]-3-(4-methylpiperazin-1-yl)-4-oxobutyl]benzoate
https://huagongshe.com/reaction/1919894
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-(3-oxopropyl)benzoate | HCID 10104031 | — |
| 용매 | Methanol | HCID 887 | — |
| 용매 | 2,2,2-Trifluoroethanol | HCID 6409 | — |
| 생성물 | Methyl 4-[4-[(4-chlorophenyl)amino]-3-(4-methylpiperazin-1-yl)-4-oxobutyl]benzoate | HCID 57611868 | — |
반응 단계
Methyl 4-(3-oxopropyl)benzoate (43.5 mg, 0.226 mmol), 4-chlorophenyl isocyanide (43.5 mg, 0.316 mmol), N-methylpiperazine (40.0 μL, 0.36 mmol) and AcOH (20.0 μL, 0.36 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 reversed phase HPLC to afford the desired product. MS cal'd 430.2 (MH+), exp 430.1 (MH+).
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| 특허 번호 | US08168658B2 |
|---|
| 출처 데이터셋 | uspto-grants-2012_05 |
|---|
| ORD ID | ord-819eceeeada54589bf12a9cbdce3df7a |
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| 출처 메모 | uspto-grants-2012_05 |
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