Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Pentanenitrile, 4,4-dimethyl-3-oxo- → 4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|---|---|---|
| 반응물 | Pentanenitrile, 4,4-dimethyl-3-oxo- | HCID 108871 | — |
| 반응물 | 4-Cyanophenylhydrazine Hydrochloride | HCID 16212962 | — |
| 용매 | Ethanol | HCID 702 | — |
| 생성물 | 4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile | HCID 7147083 | 95% |
반응 단계
A cream suspension of 4-cyanophenylhydrazine hydrochloride (1.70 g, 10.0 mmol) and 4,4-dimethyl-3-oxopentanenitrile (1.31 g, 10.5 mmol) in EtOH (25 mL) was stirred at reflux for 4 h, then at RT for 64 h, and again at reflux for 24 h. The solution was cooled to RT, concentrated in vacuo, and partitioned between water (50 mL) and EtOAc (75 mL). The organics were washed with brine (50 mL), dried (Na2SO4), filtered and concentrated in vacuo to leave an orange solid (2.28 g, 95%). LCMS (Method 3): Rt 3.45 min, m/z 241 [MH+].
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 특허 번호 | US08835431B2 |
| 출처 데이터셋 | uspto-grants-2014_09 |
| ORD ID | ord-f981191d6d004772bb16d33b65bafe56 |
| 출처 메모 | uspto-grants-2014_09 |