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【结 构 式】

【分子编号】48334

【品名】[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-[4-[(2S)oxiranylmethoxy]phenyl]propanoate

【CA登记号】

【 分 子 式 】C18H24O6

【 分 子 量 】336.38496

【元素组成】C 64.27% H 7.19% O 28.54%

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:(V)

Reaction of 3-(4-hydroxyphenyl)propionic acid (I) with the chiral dioxolanylmethyl chloride (II) afforded the corresponding dioxolanylmethyl ester (III). The phenolic hydroxyl group of (III) was then alkylated with (S)-bromohydrin (IV) to produce the intermediate (V).

1 Iguchi, S.; Kawamura, M.; Miyamoto, T. (Ono Pharmaceutical Co., Ltd.); Novel esters of phenylalkanoic acid. EP 0397031; JP 1991072475; JP 1994073044; US 5013734 .
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) 25691 3-(4-hydroxyphenyl)propionic acid 501-97-3 C9H10O3 详情 详情
(II) 45778 (4S)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane 60456-22-6 C6H11ClO2 详情 详情
(III) 48332 [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-(4-hydroxyphenyl)propanoate C15H20O5 详情 详情
(IV) 48333 (2S)-2-(bromomethyl)oxirane C3H5BrO 详情 详情
(V) 48334 [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-[4-[(2S)oxiranylmethoxy]phenyl]propanoate C18H24O6 详情 详情

合成路线2

该中间体在本合成路线中的序号:(V)

Morpholine (VI) was treated with carbonyl diimidazole (VII), and the resulting imidazolide (VIII) was further condensed with ethylenediamine (IX) to give urea (X). Reaction of epoxide (V) with amine (X) furnished the title compound.

1 Iguchi, S.; Kawamura, M.; Miyamoto, T. (Ono Pharmaceutical Co., Ltd.); Novel esters of phenylalkanoic acid. EP 0397031; JP 1991072475; JP 1994073044; US 5013734 .
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(V) 48334 [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-[4-[(2S)oxiranylmethoxy]phenyl]propanoate C18H24O6 详情 详情
(VI) 10388 Morpholine 110-91-8 C4H9NO 详情 详情
(VII) 11353 1,1'-Carbonyldiimidazole; Di(1H-imidazol-1-yl)methanone; N,N-Carbonyldiimidazole; 1,1'-Carbonylbis(1H-imidazole) 530-62-1 C7H6N4O 详情 详情
(VIII) 48336 1H-imidazol-1-yl(4-morpholinyl)methanone C8H11N3O2 详情 详情
(IX) 14754 ethylenediamine;1,2-Diaminoethane;ethane-1,2-diamine;1,2-Ethanediamine 107-15-3 C2H8N2 详情 详情
(X) 32153 N-(2-aminoethyl)-4-morpholinecarboxamide; 4-[N-(2-Aminoethyl)carbamoyl]morpholine C7H15N3O2 详情 详情
Extended Information