phenethyl isothiocyanate; 1-(2-isothiocyanatoethyl)benzene -Drug Synthesis Database

【结构式】

【分子编号】31368

【品名】phenethyl isothiocyanate; 1-(2-isothiocyanatoethyl)benzene

【CA登记号】2257-09-2

【分子式】C₉H₉NS

【分子量】163.2432

【元素组成】C 66.22% H 5.56% N 8.58% S 19.64%

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：(XII)

Then, selective reduction of the aldehyde by treatment with zinc borohydride produced alcohol (X). Deprotection of the phthalimide group of (X) with butylamine gave primary amine (XI). This was finally converted to the target thiourea by treatment with phenethyl isocyanate (XII) in EtOH.

参考文献中间体

合成目标

【1】 Masuda, K.; Akiyama, T.; Tago, K.; Arai, M.; Minami, E.; Kogen, H.; A highly stereoselective synthesis of plaunotol and its thiourea derivatives as potent antibacterial agents against Helicobacter pylori. Bioorg Med Chem Lett 1999, 9, 10, 1347.

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(IX)	31364	(5E)-2-[(Z,4E)-6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methyl-4-hexenylidene]-6,10-dimethyl-5,9-undecadienal		C₂₈H₃₅NO₃	详情	详情
(X)	31366	2-[(2E,6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethyl-2,6,10,14-hexadecatetraenyl]-1H-isoindole-1,3(2H)-dione		C₂₈H₃₇NO₃	详情	详情
(XI)	31367	(5E)-2-[(Z,4E)-6-amino-4-methyl-4-hexenylidene]-6,10-dimethyl-5,9-undecadien-1-ol		C₂₀H₃₅NO	详情	详情
(XII)	31368	phenethyl isothiocyanate; 1-(2-isothiocyanatoethyl)benzene	2257-09-2	C₉H₉NS	详情	详情

Extended Information