-Drug Synthesis Database

【结构式】

【药物名称】

【化学名称】(-)-2(R,S)-Methyloctanoic acid (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl ester
　　　　　　(-)-3-O-[2(R,S)-Methyloctanoyl]epigallocatechin

【CA登记号】299462-48-9

【分子式】C₂₄H₃₀O₈

【分子量】446.5019

【开发单位】Mitsui Norin (Originator)

【药理作用】Chemopreventive Agents, ONCOLYTIC DRUGS

合成路线1

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

【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

Drug NewChemical Entity Original Patent(1)