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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 59548생성일: 2026년 10월 23일

3,3-Dimethyl-1-butyne → N-(4-Chloro-3-(4,5-dihydro-3-(4-(3,3-dimethylbut-1-ynyl)phenyl)-5-oxo-1,2,4-triazol-1-yl)benzyl)isobutyramide

https://huagongshe.com/ko/reaction/59548

반응식

참여 물질

역할이름HCID투입량
반응물3,3-Dimethyl-1-butyneHCID 13512—
반응물Tetrabutylammonium FluorideHCID 2724141—
반응물N-(4-Chloro-3-(4,5-dihydro-3-(4-iodophenyl)-5-oxo-1,2,4-triazol-1-yl)benzyl)isobutyramideHCID 136492445—
촉매Dichlorobis(triphenylphosphine)palladiumHCID 6102075—
용매Dimethyl SulfoxideHCID 679—
생성물N-(4-Chloro-3-(4,5-dihydro-3-(4-(3,3-dimethylbut-1-ynyl)phenyl)-5-oxo-1,2,4-triazol-1-yl)benzyl)isobutyramideHCID 13624594327.7%

반응 단계

The title compound was prepared according to the procedure described in Example-111 by using N-(4-chloro-3-(4,5-dihydro-3-(4-iodophenyl)-5-oxo-1,2,4-triazol-1-yl)benzyl)isobutyramide (Intermediate-98, 0.060 g, 0.120 mmol), 3,3-dimethylbut-1-yne (0.014 g, 0.181 mmol), TBAF (0.094 g, 0.362 mmol), bis(triphenylphosphine)palladium (II) chloride (0.003 g, 0.003 mmol) and DMSO (3.0 mL) to afford 0.015 g of the desired product. 1H NMR (400 MHz, DMSO d6): δ 1.03 (s, 6H), 1.30 (s, 9H), 2.50 (m, 1H), 4.27 (d, J=5.4 Hz, 2H), 7.35 (d, J=8.7 Hz, 1H), 7.44-7.50 (m, 3H), 7.61 (d, J=8.1 Hz, 1H), 7.80 (d, J=8.1 Hz, 2H), 8.38 (m, 1H); MS (m/z): 449.9 (M−H)−.

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US09439890B2
출처 데이터셋uspto-grants-2016_09
ORD IDord-10f3add1f2dc4f0e9bb596027fb7cd10
출처 메모uspto-grants-2016_09