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【结 构 式】

【分子编号】57444

【品名】3-ethylpentanal

【CA登记号】

【 分 子 式 】C7H14O

【 分 子 量 】114.18756

【元素组成】C 73.63% H 12.36% O 14.01%

与该中间体有关的原料药合成路线共 1 条

合成路线1

该中间体在本合成路线中的序号:(VII)

Addition of the lithium acetylide prepared from methyl propiolate (VIII) to 3-ethylpentanal (VII) gives methyl 6-ethyl-4-hydroxy-2-octynoate (IX), which is further oxidized to the corresponding keto ester (X) employing the Jones reagent in acetone. Cycloaddition between alkyne (X) and the lithium derivative of the isobenzofuranone (V) gives rise to the 1,4-epoxy dihydronaphthalene adduct (XI). Subsequent acidic hydrolysis of (XI) furnishes the hydroxy naphthalenone (XII). Finally, reductive aromatization of (XII) using TiCl3 produces the title naphthol compound.

1 Mori, S.; Takechi, S.; Kida, S. (Shionogi & Co. Ltd.); Process for producing lignan cpd.. EP 0646570; WO 9424087 .
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(VII) 57444 3-ethylpentanal C7H14O 详情 详情
(VIII) 19588 methyl propiolate 922-67-8 C4H4O2 详情 详情
(IX) 57445 methyl 6-ethyl-4-hydroxy-2-octynoate C11H18O3 详情 详情
(X) 57432 methyl 6-ethyl-4-oxo-2-octynoate C11H16O3 详情 详情
(XI) 57443 3-(3,4-dimethoxyphenyl)-4,5,6-trimethoxy-2-benzofuran-1(3H)-one C19H20O7 详情 详情
(XII) 57446 methyl 8-(3,4-dimethoxyphenyl)-10-(3-ethylpentanoyl)-4,5,6-trimethoxy-1-[(trimethylsilyl)oxy]-11-oxatricyclo[6.2.1.0~2,7~]undeca-2,4,6,9-tetraene-9-carboxylate C33H44O10Si 详情 详情
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