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【结 构 式】

【分子编号】46341

【品名】methyl 2-[(1R,3aR,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyloctahydro-4H-inden-4-ylidene]acetate

【CA登记号】

【 分 子 式 】C21H36O2

【 分 子 量 】320.51564

【元素组成】C 78.7% H 11.32% O 9.98%

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:(IV)

Indanone derivative (II) was obtained as the major product from the ozonolysis of vitamin D3 (I). Horner-Emmons condensation of ketone (II) with trimethyl phosphonoacetate (III) provided the unsaturated ester (IV). This was finally hydrolyzed to the corresponding carboxylic acid by treatment with LiOH.

1 Yamada, Y.; Takahashi, M.; Sugimoto, Y.; Dodo, K.; Hashimoto, Y.; Shirai, R.; Synthesis of a novel class of cdc25A inhibitors from vitamin D3. Bioorg Med Chem Lett 2000, 10, 7, 615.
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) 46339 (1S)-3-((Z)-2-[(1R,3aR,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyloctahydro-4H-inden-4-ylidene]ethylidene)-4-methylenecyclohexanol C27H44O 详情 详情
(II) 46340 (1R,3aR,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyloctahydro-4H-inden-4-one C18H32O 详情 详情
(III) 13272 Methyl 2-(dimethoxyphosphoryl)acetate; Trimethyl phosphoroacetate 5927-18-4 C5H11O5P 详情 详情
(IV) 46341 methyl 2-[(1R,3aR,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyloctahydro-4H-inden-4-ylidene]acetate C21H36O2 详情 详情
Extended Information