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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 1506627생성일: 2026년 10월 26일

Diisopropylethylamine → N-[2-phenyl-1-(3-phenyltriazol-4-yl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

https://huagongshe.com/reaction/1506627

반응식

참여 물질

역할이름HCID투입량
반응물DiisopropylethylamineHCID 81531—
반응물[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetic acidHCID 788039—
반응물Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 9886157—
반응물2-phenyl-1-(1-phenyl-1H-1,2,3-triazol-5-yl)ethanamineHCID 90281247—
용매DimethylformamideHCID 6228—
생성물N-[2-phenyl-1-(3-phenyltriazol-4-yl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamideHCID 90281444—

반응 단계

HATU (40 mg, 0.105 mmol) was added to a solution of 2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetic acid (25.0 mg, 0.1 mmol) and DIPEA (0.02 mL, 0.12 mmol) in DMF (0.3 mL). After 10 minutes, 9D (26.5 mg, 0.1 mmol) in 0.2 mL of DMF was added to the reaction. The reaction was stirred for 2 hours. LC/MS shows desired product with a small amount of acid. Purified reaction mixture on prep reverse phase HPLC using 20-80% B over 20 min. (A=0.1% TFA/H2O; B=0.1% TFA/Acetonitrile). Combined pure fractions as determined by LC/MS and lyophilized to provide the desired compound. 1H NMR (400 MHz, DMSO) δ 9.02 (d, J=7.9 Hz, 1H), 7.96 (s, 1H), 7.58-7.42 (m, 3H), 7.30-7.18 (m, 2H), 7.18-7.06 (m, 3H), 7.00-6.86 (m, 2H), 5.06 (q, J=7.6 Hz, 1H), 4.74-4.61 (m, 2H), 2.98 (td, J=13.6, 6.4 Hz, 2H), 2.43 (s, 2H), 2.37-2.17 (m, 2H), 1.61 (d, J=5.9 Hz, 4H). MS (m/z) 495 [M+H]+.

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US09220710B2
출처 데이터셋uspto-grants-2015_12
ORD IDord-0a65a477532546b7848ecf889a7a8168
출처 메모uspto-grants-2015_12