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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 2404492생성일: 2026년 10월 26일

3-Methyl-1,2-cyclopentanedione → 5-(6-{3-[(1H-benzimidazol-2-yl)(1-methylpiperidin-4-yloxy)methyl]-4-fluorophenyl}hex-5-ynylimino)-2-methylcyclopent-1-enol

https://huagongshe.com/reaction/2404492

반응식

참여 물질

역할이름HCID투입량
반응물3-Methyl-1,2-cyclopentanedioneHCID 61209—
반응물OxalateHCID 71081—
반응물6-{3-[(1H-benzimidazol-2-yl)(1-methylpiperidin-4-yloxy)methyl]-4-fluorophenyl}hex-5-ynylamineHCID 66836161—
용매EthanolHCID 702—
용매WaterHCID 962—
용매Sodium HydroxideHCID 14798—
생성물5-(6-{3-[(1H-benzimidazol-2-yl)(1-methylpiperidin-4-yloxy)methyl]-4-fluorophenyl}hex-5-ynylimino)-2-methylcyclopent-1-enolHCID 66835873—

반응 단계

A mixture of 6-{3-[(1H-benzimidazol-2-yl)(1-methylpiperidin-4-yloxy)methyl]-4-fluorophenyl}hex-5-ynylamine, oxalate (example 557, 50 mg), 3-methyl-1,2-cyclopentanedione (11.8 mg) in ethanol (2 mL) is refluxed for 2 h. The mixture is then cooled, diluted with water and 1N sodium hydroxide and extracted with ethyl acetate. Pooled extracts are dried over magnesium sulfate and concentrated under reduced pressure. The residue is purified by chromatography over silica gel (gradient dichloromethane/methanol/ammonia from 100/0/0.5 to 95/5/0.5) to afford 5-(6-{3-[(1H-benzimidazol-2-yl)(1-methylpiperidin-4-yloxy)methyl]-4-fluorophenyl}hex-5-ynylimino)-2-methylcyclopent-1-enol. TLC (Eluent: CH2Cl2/MeOH/NH4OH 95/5/0.5) Rf=0.30.

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US08802664B2
출처 데이터셋uspto-grants-2014_08
ORD IDord-48a7eea1b78b45e194ec2482cf27019d
출처 메모uspto-grants-2014_08