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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 222902생성일: 2026년 10월 25일

Phosphorochloridic acid, dimethyl ester → (3S)-4-[4-(2-acetyl-1-methyl-1H-imidazol-4-yl)phenyl]-3-[([3-chloro-4-[(1-methylethyl)oxy]phenyl}carbonyl)amino]butyl dimethyl phosphate

https://huagongshe.com/reaction/222902

반응식

참여 물질

역할이름HCID투입량
반응물Phosphorochloridic acid, dimethyl esterHCID 101863—
반응물Ethylacetate methanolHCID 21584119—
반응물(S)-N-(1-(4-(2-acetyl-1-methyl-1H-imidazol-4-yl)phenyl)-4-hydroxybutan-2-yl)-3-chloro-4-isopropoxybenzamideHCID 57594136—
촉매4-(Dimethylamino)pyridineHCID 14284—
용매DichloromethaneHCID 6344—
생성물(3S)-4-[4-(2-acetyl-1-methyl-1H-imidazol-4-yl)phenyl]-3-[([3-chloro-4-[(1-methylethyl)oxy]phenyl}carbonyl)amino]butyl dimethyl phosphateHCID 5759415777.1%

반응 단계

To a solution of N-((1S)-1-{[4-(2-acetyl-1-methyl-1H-imidazol-4-yl)phenyl]methyl}-3-hydroxypropyl)-3-chloro-4-[(1-methylethyl)oxy]benzamide (500 mg, 1.04 mmol) in dry CH2Cl2 (10 mL) under N2, was added dimethyl chlorophosphate (748 mg, 5.18 mmol) followed by DMAP (660 mg, 5.41 mmol) at rt. After 30 min, TLC (95:5 EtOAc/MeOH) showed ˜50% conversion, so an additional portion of dimethyl chlorophosphate (748 mg, 5.18 mmol) and DMAP (660 mg, 5.41 mmol) were added. After an additional 30 min, the reaction was quenched with saturated aqueous NH4Cl and diluted with CH2Cl2. The aqueous layer was back-extracted with CH2Cl2 and the combined organics were dried (Na2SO4), filtered and concentrated under reduced pressure. The residue was purified by silica gel chromatography (100% EtOAc; isocratic on Analogix) to give 475 mg (77%) of the title compound as a pale yellow oil. LC/MS (ES) m/e 592.4 (M+H)+. Note that the product was contaminated with ˜1 eq of the starting dimethyl chlorophosphate/dimethyl hydrogenphosphate reagent and carried on as is.

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US08207340B2
출처 데이터셋uspto-grants-2012_06
ORD IDord-ef25b8a74d9947e5ae475d6ffcea2e4f
출처 메모uspto-grants-2012_06