돌아가기
Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 886400생성일: 2026년 10월 25일

Acetonitrile → (2S)-4,4-difluoro-1-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydroimidazo[1,2-d]pyrido[3,4-f][1,4]oxazepin-9-yl)pyrrolidine-2-carboxamide

https://huagongshe.com/reaction/886400

반응식

참여 물질

역할이름HCID투입량
반응물AcetonitrileHCID 6342—
반응물DiisopropylethylamineHCID 81531—
반응물4,4-Difluoro-L-prolinamide hydrochlorideHCID 45158909—
반응물2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a,9-triaza-benzo[e]azulen-8-olHCID 136030913—
용매WaterHCID 962—
생성물(2S)-4,4-difluoro-1-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydroimidazo[1,2-d]pyrido[3,4-f][1,4]oxazepin-9-yl)pyrrolidine-2-carboxamideHCID 5820436611%

반응 단계

Following the procedures of Example 339, 2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a,9-triaza-benzo[e]azulen-8-ol from Example 93 and 4,4-difluoro-L-prolinamide hydrochloride with added DIPEA (2.2 eq.) were reacted and the crude product subjected to RPHPLC (C18 column, gradient 5 to 95% acetonitrile in water+0.1% HCO2H) then recrystallisation from IMS to give 381 as a white solid (24 mg, 11%). LCMS: RT=3.21 min, [M+H]+=445. 1H NMR 400 MHz (DMSO-d6) δ: 9.11 (1H, s), 7.90 (1H, d, J=0.64 Hz), 7.87 (1H, s), 7.53 (1H, br), 7.14 (1H, br), 6.08 (1H, s), 5.99-5.91 (1H, m), 4.61 (1H, dd, J=9.53, 4.24 Hz), 4.58-4.49 (4H, m), 4.00-3.98 (2H, m), 2.91-2.90 (1H, m), 2.45 (1H, dd, J=13.51, 4.18 Hz), 1.49 (6H, dd, J=6.59, 3.35 Hz)

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US08242104B2
출처 데이터셋uspto-grants-2012_08
ORD IDord-8b461ca1a31b4c968198a17cf190206c
출처 메모uspto-grants-2012_08