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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 85634생성일: 2026년 10월 23일

Chloro-N,N-diethylacetamide → 4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(2-(diethylamino)-2-oxoethylamino)-5a,5b,8,8,11a-pentamethyl-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

https://huagongshe.com/ko/reaction/85634

반응식

참여 물질

역할이름HCID투입량
반응물Chloro-N,N-diethylacetamideHCID 16844—
반응물4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(2-(dimethylamino)-2-oxoethylamino)-5a,5b,8,8,11a-pentamethyl-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 86676593—
생성물4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(2-(diethylamino)-2-oxoethylamino)-5a,5b,8,8,11a-pentamethyl-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 68358135—

반응 단계

The title compound was prepared following the method described above for the synthesis of 4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(2-(dimethylamino)-2-oxoethylamino)-5a,5b,8,8,11a-pentamethyl-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 using 2-chloro-N,N-diethylacetamide as alkylating reagent in Step 1. The product was isolated as a white solid (20 mg, 39%). LCMS: m/e 643.50 (M+H)+, 2.35 min (method 11). 1H NMR (400 MHz, CHLOROFORM-d) δ ppm 7.99 (d, J=8.28 Hz, 2H), 7.24 (d, J=8.28 Hz, 2H), 5.31 (d, J=4.52 Hz, 1H), 4.74 (d, J=1.76 Hz, 1H), 4.60 (s, 1H), 3.58-3.21 (m, 6H), 2.82-2.69 (m, 1H), 2.22-1.02 (m, 28H), 1.72 (s, 3H), 1.18 (s, 3H), 1.01 (s, 3H), 1.00 (s, 3H), 0.95 (s, 6H).

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US08846647B2
출처 데이터셋uspto-grants-2014_09
ORD IDord-2f890499e45a4280b50a0114ff2b4995
출처 메모uspto-grants-2014_09