2-Methyloctanoic acid -Drug Synthesis Database

【结构式】

【分子编号】51334

【品名】2-Methyloctanoic acid

【CA登记号】

【分子式】C₉H₁₈O₂

【分子量】158.24072

【元素组成】C 68.31% H 11.47% O 20.22%

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)

The dilithium anion of octanoic acid (I) was alkylated with iodomethane in the presence of HMPA to afford 2-methyloctanoic acid (II). After conversion of (II) to the corresponding acid chloride (III), condensation with (-)-epigallocatechin (IV) using trifluoroacetic acid as the catalyst furnished the title 3-O-acyl epigallocatechin.

参考文献中间体

合成目标

【1】 Uesato, S.; et al.; Antitumor promoting activities of 3-O-acyl-(-)-epigallocatechins. Bioorg Med Chem Lett 2000, 10, 15, 1673.

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)	11091	Octanoic acid	124-07-2	C₈H₁₆O₂	详情	详情
(II)	51334	2-Methyloctanoic acid		C₉H₁₈O₂	详情	详情
(III)	51335	2-methyloctanoyl chloride		C₉H₁₇ClO	详情	详情
(IV)	51336	(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol		C₁₅H₁₄O₇	详情	详情

Extended Information