2-bromo-1-(4-fluorophenyl)-2-(4-pyridinyl)-1-ethanone -Drug Synthesis Database

【结构式】

【分子编号】45006

【品名】2-bromo-1-(4-fluorophenyl)-2-(4-pyridinyl)-1-ethanone

【CA登记号】4736-60-1

【分子式】C₁₃H₉BrFNO

【分子量】294.1230032

【元素组成】C 53.09% H 3.08% Br 27.17% F 6.46% N 4.76% O 5.44%

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)

1-(4-Fluorophenyl)-2-(4-pyridyl)ethanone (I) was brominated in HOAc to yield bromoketone (II). Reaction of (II) with ammonium oxalate in formamide at 200 C produced a 1:1 mixture of imidazole (III) and oxazole (IV). After isolation of the desired oxazole (IV), its lithiation with n-butyllithium followed by addition to N-methyl-4-piperidinone (V) furnished the corresponding carbinol .

参考文献中间体

合成目标

【1】 Zimmerlin, A.G.; Di Padova, F.E.; Revesz, L.; Manning, U.; Gram, H.; Hiestand, P.; Buhl, T.; Feifel, R.; SAR of 4-hydroxypiperidine and hydroxyalkyl substituted heterocycles as novel p38 MAP kinase inhibitors. Bioorg Med Chem Lett 2000, 10, 11, 1261.

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)	45005	1-(4-fluorophenyl)-2-(4-pyridinyl)-1-ethanone		C₁₃H₁₀FNO	详情	详情
(II)	45006	2-bromo-1-(4-fluorophenyl)-2-(4-pyridinyl)-1-ethanone	4736-60-1	C₁₃H₉BrFNO	详情	详情
(III)	45007	4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]pyridine		C₁₄H₉FN₂O	详情	详情
(IV)	33798	4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine		C₁₄H₁₀FN₃	详情	详情
(V)	10919	1-Methyl-4-piperidone; 1-Methyltetrahydro-4(1H)-pyridinone; N-Methyl-4-piperidone;1-methylpiperidin-4-one	1445-73-4	C₆H₁₁NO	详情	详情

Extended Information