2-(hydroxymethyl)-5-methyl-1,4-benzenediol -Drug Synthesis Database

【结构式】

【分子编号】45526

【品名】2-(hydroxymethyl)-5-methyl-1,4-benzenediol

【CA登记号】

【分子式】C₈H₁₀O₃

【分子量】154.1656

【元素组成】C 62.33% H 6.54% O 31.13%

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)

2-(Hydroxymethyl)-5-methyl-1,4-benzoquinone (III) was obtained by hydroxymethylation of toluhydroquinone (I) with formaldehyde, followed by oxidation of the resulting hydroquinone (II) with Ag2O. Then, addition of aziridine (IV) to quinone (III) furnished the title compound.

参考文献中间体

合成目标

【1】 Remers, W.A.; Witty, T.R.; Synthesis and antitumor and antibacterial activity of benzoquinones related to the mitomycins. J Med Chem 1973, 16, 11, 1280.
【2】 Winski, S.L.; Hargreaves, R.H.J.; Butler, J.; Ross, D.; A new screening system for NAD(P)H: quinone oxidoreductase (NQO1)-directed antitumor quinones: Identification of a new aziridinylbenzoquinone, RH1, as a NQO1-directed antitumor agent. Clin Cancer Res 1998, 4, 12, 3083.

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)	45525	2-methyl-1,4-benzenediol	95-71-6	C₇H₈O₂	详情	详情
(II)	45526	2-(hydroxymethyl)-5-methyl-1,4-benzenediol		C₈H₁₀O₃	详情	详情
(III)	45527	2-(hydroxymethyl)-5-methylbenzo-1,4-quinone		C₈H₈O₃	详情	详情
(IV)	10151	Ethyleneimine; Aziridine; Azirane	151-56-4	C₂H₅N	详情	详情

Extended Information