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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 2234440생성일: 2026년 10월 25일

p-Toluenesulfonic acid monohydrate → 3-Ethoxy-4-[(6-methyl-5-oxo-2-propan-2-yl-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]benzoic acid

https://huagongshe.com/reaction/2234440

반응식

참여 물질

역할이름HCID투입량
반응물p-Toluenesulfonic acid monohydrateHCID 521998—
반응물4-Amino-3-ethoxybenzoic acidHCID 22397448—
반응물2-Chloro-9-isopropyl-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-oneHCID 86617543—
용매4-Methyl-2-PentanolHCID 7910—
생성물3-Ethoxy-4-[(6-methyl-5-oxo-2-propan-2-yl-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]benzoic acidHCID 6868534914%

반응 단계

10-Chloro-6-methyl-2-propan-2-yl-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-5-one (Intermediate 10; 625 mg, 2.45 mmol), 4-amino-3-ethoxybenzoic acid (Intermediate 164; 509 mg, 2.82 mmol) and 4-toluenesulphonic acid mono hydrate (1.17 g, 6.13 mmol) were heated at 140° C. in 4-methyl-2-pentanol (15 mL) for 1.5 hours. The mixture was cooled and filtered to yield the title compound as a white solid (135 mg, 14%). The filtrate was absorbed on to an SCX column, washed with methanol and eluted with ammonia in methanol. Product containing fractions were concentrated and purified by column chromatography (1%-3% MeOH/DCM) to yield the title compound as a white solid (115 mg, 12%)

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US07709471B2
출처 데이터셋uspto-grants-2010_05
ORD IDord-ca35cf0764a14ad4b2ee3578880059fd
출처 메모uspto-grants-2010_05