(1R,3aR,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyloctahydro-4H-inden-4-one -Drug Synthesis Database

【结构式】

【分子编号】46340

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

【CA登记号】

【分子式】C₁₈H₃₂O

【分子量】264.45148

【元素组成】C 81.75% H 12.2% O 6.05%

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：(II)

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.

参考文献中间体

合成目标

【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