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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 85687생성일: 2026년 10월 27일

Trifluoroacetic acid → methyl 4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-3a-(2-(pyridazin-3-ylamino)ethylamino)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoate

https://huagongshe.com/reaction/85687

반응식

참여 물질

역할이름HCID투입량
반응물Trifluoroacetic acidHCID 6422—
반응물3-ChloropyridazineHCID 11274989—
반응물4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-3a-(2-(6-methylpyridazin-3-ylamino)ethylamino)-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic acidHCID 68358106—
생성물methyl 4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-3a-(2-(pyridazin-3-ylamino)ethylamino)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoateHCID 683582116%

반응 단계

The title compound was prepared following a similar procedure as described for the synthesis of 4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-3a-(2-(6-methylpyridazin-3-ylamino)ethylamino)-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic acid, except 3-chloropyridazine (0.011 g, 0.100 mmol) was used in place of 3-bromo-6-methylpyridazine. Purification of the crude mixture by reverse phase preparative HPLC using Prep HPLC Method 9 gave the title compound as a white glassy solid (4.9 mg, 6.0% yield) bis TFA salt. LCMS: m/e 665.5 (M+H)+, 2.40 min (method 11).

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US08846647B2
출처 데이터셋uspto-grants-2014_09
ORD IDord-b26304c4556147d4b6a0a6c1550e6ec9
출처 메모uspto-grants-2014_09