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【结 构 式】

【分子编号】58574

【品名】allyl 4-{3-[4-(decyloxy)phenoxy]-2-oxopropoxy}benzoate

【CA登记号】

【 分 子 式 】C29H38O6

【 分 子 量 】482.61712

【元素组成】C 72.17% H 7.94% O 19.89%

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:(VIII)

Monoalkylation of hydroquinone (I) with decyl bromide (II) under basic conditions provided 4-(decyloxy)phenol (III), which was further condensed with epichlorohydrin (IV) in the presence of Cs2CO3 to yield the glycidyl ether (V). Ring opening of epoxide (V) with allyl 4-hydroxybenzoate (VI) furnished adduct (VII). Then, oxidation of the secondary alcohol (VII) using the Dess-Martin reagent afforded the keto ester (VIII), which upon deprotection with palladium tetrakis(triphenylphosphine) gave the target carboxylic acid.

1 Connolly, S.; Botterll, S.; Bennion, C.; et al.; Design and synthesis of a novel and potent series of inhibitors of cytosolic phospholipase A2 based on a 1,3-disubstituted propan-2-one skeleton. J Med Chem 2002, 45, 6, 1348.
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) 13163 p-Dihydrobenzene; Hydroquinone 123-31-9 C6H6O2 详情 详情
(II) 58570 1-Bromodecane; 1-Decyl bromide; Decyl bromide; n-decyl bromide 112-29-8 C10H21Br 详情 详情
(III) 58571 4-Decyloxyphenol C16H26O2 详情 详情
(IV) 10146 Epichlorohydrin; 2-(Chloromethyl)oxirane 106-89-8 C3H5ClO 详情 详情
(V) 58572 2-{[4-(decyloxy)phenoxy]methyl}oxirane; decyl 4-(2-oxiranylmethoxy)phenyl ether C19H30O3 详情 详情
(VI) 21022 allyl 4-hydroxybenzoate C10H10O3 详情 详情
(VII) 58573 allyl 4-{3-[4-(decyloxy)phenoxy]-2-hydroxypropoxy}benzoate C29H40O6 详情 详情
(VIII) 58574 allyl 4-{3-[4-(decyloxy)phenoxy]-2-oxopropoxy}benzoate C29H38O6 详情 详情
Extended Information