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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 445969생성일: 2026년 10월 24일

Isopropanol → (3S)-3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one

https://huagongshe.com/ko/reaction/445969

반응식

참여 물질

역할이름HCID투입량
반응물IsopropanolHCID 3776—
반응물3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-oneHCID 11306691—
반응물dibenzoyl-L(+)tartaric acidHCID 12362976—
용매MethanolHCID 887—
생성물(3S)-3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-oneHCID 11432118—

반응 조건

온도62.5 °C

반응 단계

In a 50 mL three neck flask IPA (5 mL) and Dibenzoyl-L-tartaric acid (1.75 g) were taken. It was heated to 60-65° C. 4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine (2.0 g, % purity-94%) dissolved in methanol (6 mL) was added into reaction mixture at 60-65. It was stirred for 60 min. at 60-65° C. Solid salt was precipitated. It was gradually cooled to room temperature over a period of 2 to 3 hrs. The salt was filtered and washed with a mixture of IPA: MeOH (2:1, 10 mL). An enantiomerically enriched desired Dibenzoyl-L-tartaric acid salt of mixture of (2R) and (2S)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine was obtained (Wt.-1.08 g, % Y-29%, Purity by HPLC-99.1%, % Chiral purity by HPLC of R-isomer 76.7%).

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US08476437B2
출처 데이터셋uspto-grants-2013_07
ORD IDord-7dbecd479f5a4b97b90160264c973a6b
출처 메모uspto-grants-2013_07