CAS 744266-99-7

methyl 3-[methyl(pentyl)amino]propanoate

Codes：IBAN-008

Application context (from source-drug indications)

骨质疏松症伊班膦酸钠/胆骨化醇

Source drugs (routes using this intermediate)

Drug	Tier	Expiry
伊班膦酸钠/胆骨化醇Ibandronate Sodium Hydrate/Colecalciferol	Tier C — Watch / trade	-

Position in synthesis routes (up/downstream chain)

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伊班膦酸钠/胆骨化醇原研路线steps: 7total yield: /

pentan-1-amine→benzaldehyde→3-(methyl(pentyl)amino)propanoic acid hydrochloride→(E)-N-benzylidenepentan-1-amine→N-benzyl-N-methylpentan-1-amine→N-methylpentan-1-amine→methyl acrylate→ methyl 3-[methyl(pentyl)amino]propanoate →3-(methyl(pentyl)amino)propanoic acid

伊班膦酸钠/胆骨化醇优化路线steps: 4total yield: 315.60 g

3-(methyl(pentyl)amino)propanoic acid hydrochloride→N-methylpentan-1-amine→methyl acrylate→ methyl 3-[methyl(pentyl)amino]propanoate →3-[methyl(pentyl)amino]propanoic acid;hydrochloride →diethyl carbonate

伊班膦酸钠/胆骨化醇优化路线steps: 5total yield: 53.33 g

N-benzyl-N-methylpentan-1-amine→N-methylpentan-1-amine→ methyl 3-[methyl(pentyl)amino]propanoate →3-[methyl(pentyl)amino]propanoic acid;hydrochloride →N-methyl-1-phenylmethanamine→1-bromopentane→methyl 3-bromopropanoate

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