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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 1041762생성일: 2026년 10월 26일

(2-Nitrophenyl)methanamine → n-{2-[5-Chloro-2-(5-methyl-6-oxo-5,6,8,9-tetrahydro-7-oxa-5-aza-benzocyclohepten-2-ylamino)-pyrimidin-4-ylamino]-benzyl}-acetamide

https://huagongshe.com/reaction/1041762

반응식

참여 물질

역할이름HCID투입량
반응물(2-Nitrophenyl)methanamineHCID 423893—
반응물tert-butyl N-[(2-aminophenyl)methyl]carbamateHCID 4409487—
반응물tert-Butyl 2-nitrobenzylcarbamateHCID 22981248—
반응물[2-(2,5-Dichloro-pyrimidin-4-ylamino)-benzyl]-carbamic acid tert-butyl esterHCID 87330207—
반응물N-(2-(aminomethyl)phenyl)-2,5-dichloropyrimidin-4-amineHCID 87330272—
반응물N-(2-(2,5-dichloropyrimidin-4-ylamino)benzyl)acetamideHCID 87330301—
생성물n-{2-[5-Chloro-2-(5-methyl-6-oxo-5,6,8,9-tetrahydro-7-oxa-5-aza-benzocyclohepten-2-ylamino)-pyrimidin-4-ylamino]-benzyl}-acetamideHCID 25155915—

반응 단계

Following a procedure analogous to Example 1783c, 2-nitro-benzylamine was converted to 2-nitro-benzyl-carbamic acid tert-butyl ester, which following a procedure analogous to Example 1791b was converted to 2-amino-benzyl-carbamic acid tert-butyl ester. Following a procedure analogous to Example 1751b, 2-amino-benzyl-carbamic acid tert-butyl ester was converted to [2-(2,5-dichloro-pyrimidin-4-ylamino)-benzyl]-carbamic acid tert-butyl ester, which following a procedure analogous to Example 1773c was converted to N-(2-(aminomethyl)phenyl)-2,5-dichloropyrimidin-4-amine. Following a procedure analogous to Example 1792a, N-(2-(aminomethyl)phenyl)-2,5-dichloropyrimidin-4-amine was converted to N-(2-(2,5-dichloropyrimidin-4-ylamino)benzyl)acetamide, which following a procedure analogous to Example 1741e was converted to N-{2-[5-chloro-2-(5-methyl-6-oxo-5,6,8,9-tetrahydro-7-oxa-5-aza-benzocyclohepten-2-ylamino)-pyrimidin-4-ylamino]-benzyl}-acetamide. TFA salt: 1H NMR (300 MHz, CD3OD) δ 8.12 (s, 1H), 7.4 (m, 4H), 7.32 (d, 1H), 7.20 (dd, 1H), 7.10 (d, 1H), 4.3 (m, 4H), 3.3 (s, 3H), 2.76 (t, 2H), 1.89 (s, 3H); MS (m/e) 467 (M+1).

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US08552186B2
출처 데이터셋uspto-grants-2013_10
ORD IDord-38193203e7f24c14bae251df77a2b852
출처 메모uspto-grants-2013_10