Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Pentanenitrile, 4,4-dimethyl-3-oxo- → ethyl 3-(3-(3-t-butyl-5-amino-1H-pyrazol-1-yl)phenyl)propanoate
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|---|---|---|
| 반응물 | Pentanenitrile, 4,4-dimethyl-3-oxo- | HCID 108871 | — |
| 반응물 | 3-(3-Hydrazinophenyl)propionic acid ethyl ester | HCID 58842921 | — |
| 용매 | Ethanol | HCID 702 | — |
| 생성물 | ethyl 3-(3-(3-t-butyl-5-amino-1H-pyrazol-1-yl)phenyl)propanoate | HCID 58842892 | 85.2% |
반응 단계
A mixture of Example Y (13 g, 53.3 mmol) and 4,4-dimethyl-3-oxo-pentanenitrile (6.9 g, 55 mol) in ethanol (150 mL) was heated to reflux overnight. The reaction solution was evaporated under reduced pressure. The residue was purified by column chromatography to give 3-[3-(5-amino-3-t-butyl-pyrazol-1-yl)-phenyl]-propionic acid ethyl ester (14.3 g, 45.4 mmol) as a white solid. 1H NMR (DMSO-d6): 7.39-7.32 (m, 3H), 7.11 (d, J=6.8 Hz, 1H), 5.34 (s, 1H), 5.16 (s, 2H), 4.03 (q, J=7.2 Hz, 2H), 2.88 (t, J=7.6 Hz, 2H), 2.63 (t, J=7.6 Hz, 2H), 1.19 (s, 9H), 1.15 (t, J=7.2 Hz, 3H).
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 특허 번호 | US07737283B2 |
| 출처 데이터셋 | uspto-grants-2010_06 |
| ORD ID | ord-07529dbc42134ba2b0775176156d04e0 |
| 출처 메모 | uspto-grants-2010_06 |