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【结 构 式】

【分子编号】46432

【品名】(2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-chromen-4-one

【CA登记号】

【 分 子 式 】C25H22O10

【 分 子 量 】482.44368

【元素组成】C 62.24% H 4.6% O 33.16%

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:(I)

Commercial silybin (I) was oxidized to dehydrosilybin (II) employing iodine and KOAc in HOAc. Alkylation of (II) with geranyl bromide (III) in the presence of tetraethylammonium hydroxide provided a mixture of the desired 8-geranyl dehydrosilybin along with minor amounts of the 6-geranyl isomer (IV), which were separated by chromatography.

1 Barron, D.; Di Pietro, A.; El Kirat, K.; Conseil, G.; Comte, G.; Maitrejean, M.; The flavanolignan silybin and its hemisynthetic derivatives, a novel series of potential modulators of P-glycoprotein. Bioorg Med Chem Lett 2000, 10, 2, 157.
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) 46432 (2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-chromen-4-one C25H22O10 详情 详情
(II) 46433 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-chromen-4-one C25H20O10 详情 详情
(III) 31116 (2E)-1-bromo-3,7-dimethyl-2,6-octadiene; trans-Geranyl bromide; Geranyl bromide 6138-90-5 C10H17Br 详情 详情
(IV) 46434 6-[(2E)-3,7-dimethyl-2,6-octadienyl]-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-chromen-4-one C35H36O10 详情 详情
Extended Information