Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1-Pentyne → 2-(4'-Fluorophenyl)-5-pent-1-ynylpyrimidine
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|---|---|---|
| 반응물 | 1-Pentyne | HCID 12309 | — |
| 반응물 | 5-Bromo-2-(4-fluorophenyl)pyrimidine | HCID 23297064 | — |
| 반응물 | 2-(2',3'-Difluoro-4'-octyloxyphenyl)-5-non-1-ynylpyrimidine | HCID 54455102 | — |
| 촉매 | Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI) | HCID 24350 | — |
| 촉매 | HCID 178418397 | HCID 178418397 | — |
| 용매 | Diisopropylamine | HCID 7912 | — |
| 생성물 | 2-(4'-Fluorophenyl)-5-pent-1-ynylpyrimidine | HCID 19386263 | 87% |
반응 단계
--Quantities: 2-(4'-fluorophenyl)-5-bromo-pyrimidine 20 (1.48 g, 4.88 mmol), pent-1-yne (0.98 ml, 10 mmol), tetrakis(triphenylphosphine)palladium (350 mg, 0.30 mmol), copper(I) iodide (57 mg, 0.30 mmol), diisopropylamine (20 ml). The experimental procedure was as described for compound 38. The crude product was purified by flash chromatography (8% ethyl acetate-light petroleum) to give the fluorophenylpyrimidine 42 (1.02 g, 85%), m.p. 51° C.; νmax /cm-1 (KBr) 2960, 2870, 2220, 1600, 1510, 1430, 1220, 1150 and 855; δ 1.07 (3H, t, Me), 1.68 (2H, sext, CH2CH3), 2.47 (2H, t, CH2C≡C), 7.18 (2H, t, 3'- and 5'-H), 8.44 (2H, dd, 2'- and 6'-H) and 8.75 (2H, s, 4- and 6-H); m/z 240 (M+), 225, 212, 198, 184, 171 and 118.
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 특허 번호 | US05986096 |
| 출처 데이터셋 | uspto-grants-1999_11 |
| ORD ID | ord-ed1bb7e6f9554ff6afd79009163be1ae |
| 출처 메모 | uspto-grants-1999_11 |