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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 534202생성일: 2026년 10월 25일

Sodium Hydroxide → 2,2-Dimethyl-3-(4-((((trans)-2-phenylcyclopropyl)amino)methyl)piperidin-1-yl)propanoic acid

https://huagongshe.com/reaction/534202

반응식

참여 물질

역할이름HCID투입량
반응물Sodium HydroxideHCID 14798—
반응물Sodium triacetoxyborohydrideHCID 5049666—
반응물Methyl 2,2-dimethyl-3-oxopropanoateHCID 11137194—
반응물2,2,2-trifluoro-N-((1R,2S)-2-phenylcyclopropyl)-N-(piperidin-4-ylmethyl)acetamideHCID 86708234—
용매1,2-DichloroethaneHCID 11—
용매IodobenzeneHCID 11575—
생성물2,2-Dimethyl-3-(4-((((trans)-2-phenylcyclopropyl)amino)methyl)piperidin-1-yl)propanoic acidHCID 68388498—

반응 단계

To a solution of 2,2,2-trifluoro-N-(trans-2-phenylcyclopropyl)-N-(piperidin-4-ylmethyl)acetamide (130 mg, 0.398 mmol) in 1,2-dichloroethane (DCE) (2 mL) were added methyl 2,2-dimethyl-3-oxopropanoate in iodobenzene (160 mg, 0.478 mmol) and sodium triacetoxyborohydride (118 mg, 0.558 mmol), and the reaction mixture was stirred for 18 h. Additional methyl 2,2-dimethyl-3-oxopropanoate in iodobenzene (320 mg) and sodium triacetoxyborohydride (236 mg) were added and the mixture was stirred at rt for 2 h. The mixture was quenched with water (2 mL) and extracted with DCM (3×). The extract was dried (Na2SO4) and concentrated. The residue was dissolved in methanol (2.000 mL) and sodium hydroxide (3M, 0.664 mL, 1.992 mmol) was added. The mixture was stirred at rt for 18 h and concentrated. The residue was treated with methanol and filtered. The filtrate was purified using reverse-phase HPLC under the acidic conditions. The resulting TFA salt was treated with ACN (1 mL) and 1N HCl aqueous solution and concentrated to give 64 mg of product as off-white solid (HCl salt). MS: (M+H)+=311.4. 1H NMR (400 MHz, DMSO-d6) δ ppm 1.19-1.34 (m, 7H), 1.59-1.83 (m, 3H), 1.98 (br. s., 3H), 2.58-2.74 (m, 1H), 2.85-3.24 (m, 7H), 3.42 (br. s., 2H), 7.08-7.43 (m, 5H).

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US08853408B2
출처 데이터셋uspto-grants-2014_10
ORD IDord-28b395a353a443aaad24367e8a47b0ab
출처 메모uspto-grants-2014_10