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【结 构 式】

【分子编号】15766

【品名】N-pentyl-N-[(E)-benzylidene]amine; N-[(E)-benzylidene]-1-pentanamine

【CA登记号】

【 分 子 式 】C12H17N

【 分 子 量 】175.27372

【元素组成】C 82.23% H 9.78% N 7.99%

与该中间体有关的原料药合成路线共 2 条

合成路线1

该中间体在本合成路线中的序号:(III)

Starting from N-pentylamine (I), the intermediate N-methyl-N-pentylamine (IV) is condensed with methyl methacrylate to give N-methyl-N-pentyl-beta-alanine methyl ester (V). After hydrolysis of the methyl ester (V), the bisphosphonate is produced in the common way using phosphorous oxychloride/phosphorous acid.

1 Muhlbauer, R.C.; Bauss, F.; BM-21.0955, Monosodium Salt, Monohydrate. Drugs Fut 1994, 19, 1, 13.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(I) 15764 amylamine; 1-pentanamine; pentylamine 110-58-7 C5H13N 详情 详情
(II) 10498 Benzaldehyde;Benzoic aldehyde;Phenylmethanal 100-52-7 C7H6O 详情 详情
(III) 15766 N-pentyl-N-[(E)-benzylidene]amine; N-[(E)-benzylidene]-1-pentanamine C12H17N 详情 详情
(IV) 15767 N-Methylamylamine; N-methyl-N-pentylamine; N-methyl-1-pentanamine 25419-06-1 C6H15N 详情 详情
(V) 15768 methyl 3-[methyl(pentyl)amino]propanoate C10H21NO2 详情 详情
(VI) 15769 3-[methyl(pentyl)amino]propionic acid C9H19NO2 详情 详情

合成路线2

该中间体在本合成路线中的序号:(III)

 

1 Baetz F,JunghansB 2006. Improved process for the preparation of sodium ibandronate, [l-hydroxy-3-(methylpentylamino) propylidene] bisphosphonic acid monosodium salt mmohydrate W0 2006045578(本专利申请人为F.Hoffmann-IA Roche AG, Switz)
2 Grassi S,Volante A. 2005. An improved process for the preparation of alkyl- and aryl-substituted-hydroxy-l,l-ethanediphosphonic acids and salts thereof by solvent-free reaction of carboxylic acids with pbosphoxous acid and phosphorus oxychloride. W0 2005063779(本专利申请人为Lyogen Limited, Cyprus)
3 Szabo CM, Matsumura Y, Fukrua S,et aL 2002. Inhibition of geranylgeranyl diphosphate synthase by bisphosphontes and diphosphates: a potential route to new bone antiresorption ru,d antiparasitic agents.J Med Che:m, 45 (11): 2185~2196
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(I) 15764 amylamine; 1-pentanamine; pentylamine 110-58-7 C5H13N 详情 详情
(II) 10498 Benzaldehyde;Benzoic aldehyde;Phenylmethanal 100-52-7 C7H6O 详情 详情
(III) 15766 N-pentyl-N-[(E)-benzylidene]amine; N-[(E)-benzylidene]-1-pentanamine C12H17N 详情 详情
(IV) 15767 N-Methylamylamine; N-methyl-N-pentylamine; N-methyl-1-pentanamine 25419-06-1 C6H15N 详情 详情
Extended Information