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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 971348생성일: 2026년 10월 24일

Sodium Carbonate → 3-(3'-Benzyl-2,3''-diisobutyl-4''-methoxy-1,1':4',1''-terphenyl-4-yl)propanenitrile

https://huagongshe.com/ko/reaction/971348

반응식

참여 물질

역할이름HCID투입량
반응물Sodium CarbonateHCID 10340—
반응물2-(3-Isobutyl-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneHCID 12134705—
반응물Trifluoro-methanesulfonic acid 3-benzyl-4'-(2-Cyano-ethyl)-2'-isobutyl-biphenyl-4-yl esterHCID 12134712—
촉매HCID 178418397HCID 178418397—
용매Dimethoxyethane ethanolHCID 20074477—
생성물3-(3'-Benzyl-2,3''-diisobutyl-4''-methoxy-1,1':4',1''-terphenyl-4-yl)propanenitrileHCID 2256524288.9%

반응 조건

온도80 °C

반응 단계

134.6 mg (0.27 mmol) Trifluoro-methanesulfonic acid 3-benzyl-4′-(2-Cyano-ethyl)-2′-isobutyl-biphenyl-4-yl ester (54), 96.9 mg (0.33 mmol, 1.24 eq.) 2-(3-isobutyl-4-methoxyphenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane (11) and 46.7 mg (40 μmol, 0.15 eq.) Pd(Ph3P)4 were dissolved in 7 ml DME/EtOH (9+1). To this yellow solution 0.27 ml (0.54 mmol, 2.00 eq.) of a 2 M aq. Na2CO3-solution was added and the resulting mixture was heated at 80° C. for 19 h. After concentrating the mixture in vacuo the residue was taken up in water and extracted with CH2Cl2. The comb. org. fractions were dried over MgSO4 and evaporated. Column chromatography (hexanes/EtOAc (6+1)) yielded 122.9 mg (0.24 mmol, 88.26%) 3-(3′-Benzyl-2,3″-diisobutyl-4″-methoxy-1,1′:4′,1″-terphenyl-4-yl)propanenitrile (55) as a clear oil. Rf (hexanes/EtOAc (6+1))=0.20. 1H-NMR (500 MHz, CDCl3): δ=0.69 (d, 6H, J=6.62 Hz, 2*CH3), 0.84 (d, 6H, J=6.62 Hz, 2*CH3), 1.63 (m, 1H, CH), 1.83 (m, 1H, CH), 2.42 (d, 2H, J=7.25 Hz, CH2), 2.44 (d, 2H, J=7.25 Hz, CH2), 2.61 (t, 2H, J=7.41 Hz, CH2CH2CN), 2.93 (t, 2H, J=7.41 Hz, CH2CH2CN), 3.81 (s, 3H, OCH3), 3.98 (s, 2H, CH2Ph), 6.81 (d, 1H, J=8.51 Hz), 6.96 (m, 2H), 7.00-7.18 (m, 10H), 7.24-7.26 (d, 1H, J=7.57 Hz). MS (EI): m/z=517 (10), 516 (45), 515 (100), 472 (10), 381 (8), 91 (20). HR-MS (EI): Calcd. for C37H41NO: 515.318814. Found: 515.319235.

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US07312246B2
출처 데이터셋uspto-grants-2007_12
ORD IDord-9dab3958f75049a0a329ee4e9d676014
출처 메모uspto-grants-2007_12