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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 599930생성일: 2026년 10월 27일

Butanoic acid, 4-chloro-, methyl ester → 4-[3-(4-Chloro-phenyl)-5,6,7,8-tetrahydro-4H-1,2,6-triaza-azulen-1-yl]-butyric Acid Methyl Ester

https://huagongshe.com/reaction/599930

반응식

참여 물질

역할이름HCID투입량
반응물Butanoic acid, 4-chloro-, methyl esterHCID 76612—
반응물3-(4-chloro-phenyl)-4,5,7,8-tetrahydro-1H-1,2,6-triaza-azulene-6-carboxylic acid tert-butyl esterHCID 67269020—
반응물3-(4-chloro-phenyl)-2-(3-methoxycarbonyl-propyl)-4,5,7,8-tetrahydro-2H-1,2,6-triaza-azulene-6-carboxylic acid tert-butyl esterHCID 67269057—
생성물4-[3-(4-Chloro-phenyl)-5,6,7,8-tetrahydro-4H-1,2,6-triaza-azulen-1-yl]-butyric Acid Methyl EsterHCID 59752534—

반응 단계

The title compound (0.003 g) was prepared from 3-(4-chloro-phenyl)-4,5,7,8-tetrahydro-1H-1,2,6-triaza-azulene-6-carboxylic acid tert-butyl ester (Example 59, Step C, 0.1 g) using methyl 4-chlorobutyrate (0.8 mL) in place of benzyl chloride. The reaction sequence also yielded 3-(4-chloro-phenyl)-2-(3-methoxycarbonyl-propyl)-4,5,7,8-tetrahydro-2H-1,2,6-triaza-azulene-6-carboxylic acid tert-butyl ester in the alkylation step. MS (ESI): exact mass calculated for C18H22ClN3O2, 347.14. found, m/z 348.1 [M+H]+. 1H NMR (500 MHz, CD3OD): 7.37-7.31 (m, 4H), 4.07 (t, J=6.6 Hz, 2H), 3.52 (s, 3H), 2.97-2.94 (m, 2H), 2.88-2.84 (m, 4H), 2.70-2.66 (m, 2H), 2.25 (t, J=6.6 Hz, 2H), 1.98-1.95 (m, 2H).

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US07897771B2
출처 데이터셋uspto-grants-2011_03
ORD IDord-e7e67d0d713845768481e46755ba946a
출처 메모uspto-grants-2011_03