8-bromo-1-(4-chlorophenyl)-1-octanone -Drug Synthesis Database

【结构式】

【分子编号】38993

【品名】8-bromo-1-(4-chlorophenyl)-1-octanone

【CA登记号】

【分子式】C₁₄H₁₈BrClO

【分子量】317.65302

【元素组成】C 52.94% H 5.71% Br 25.15% Cl 11.16% O 5.04%

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：(X)

Friedel-Crafts acylation of chlorobenzene (VIII) with 8-bromooctanoyl chloride (IX) in the presence of AlCl3 gave rise to bromo ketone (X). Finally, alkylation of thiouracil (VII) with bromoketone (X) generated the title compound.

参考文献中间体

合成目标

【1】 Hickey, D.M.B.; Boyd, H.F.; Flynn, S.T.; et al.; 2-(Alkylthio)pyrimidin-4-ones as novel, reversible inhibitors of lipoprotein-associated phospholipase A2. Bioorg Med Chem Lett 2000, 10, 4, 395.
【2】 Pinto, I.L.; Ife, R.J.; Hickey, D.M.B.; Smith, S.A.; Leach, C.A.; Porter, R.A. (SmithKline Beecham plc); Pyrimidinone cpds. and pharmaceutical compsns. containing them. EP 1028955; WO 9924420 .

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(VII)	38991	5-(5-pyrimidinylmethyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone		C₉H₈N₄OS	详情	详情
(VIII)	10190	1-Chlorobenzene	108-90-7	C₆H₅Cl	详情	详情
(IX)	38992	8-bromooctanoyl chloride		C₈H₁₄BrClO	详情	详情
(X)	38993	8-bromo-1-(4-chlorophenyl)-1-octanone		C₁₄H₁₈BrClO	详情	详情

Extended Information