3-Methyl-1-pyridiniumolate; 3-Picoline N-oxide -Drug Synthesis Database

【结构式】

【分子编号】62793

【品名】3-Methyl-1-pyridiniumolate; 3-Picoline N-oxide

【CA登记号】1003-73-2

【分子式】C₆H₇NO

【分子量】109.12772

【元素组成】C 66.04% H 6.47% N 12.84% O 14.66%

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)

3-Picoline (I) is oxidized to the corresponding N-oxide (II) by means of peracetic acid. Condensation of (II) with dimethylcarbamoyl chloride furnishes carbamate (III), which is then reacted with cyanotrimethylsilane, producing 2-cyano-5-methylpyridine (IV). Subsequent addition of methylmagnesium iodide to the cyanopyridine (IV) gives rise to the pyridyl ketone (V).

参考文献中间体

合成目标

【1】 Easmon, J.; Fürtinger, S.; Lackner, G. ; Magreiter, E.; Hofmann, J.; Heinisch, G.; Puerstinger, G.; Hydrazones derived from monosubstitued 2-acetylpyridines and 2-hydrazino-1-methylbenzimidazole: Synthesis and biological studies. Eur J Cancer 2002, 38, Suppl. 7.

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)	62792	3-Methylpyridine; 3-Picoline	108-99-6	C₆H₇N	详情	详情
(II)	62793	3-Methyl-1-pyridiniumolate; 3-Picoline N-oxide	1003-73-2	C₆H₇NO	详情	详情
(III)	62794	1-{[(dimethylamino)carbonyl]oxy}-3-methylpyridinium chloride		C₉H₁₃ClN₂O₂	详情	详情
(IV)	38502	5-methyl-2-pyridinecarbonitrile		C₇H₆N₂	详情	详情
(V)	62795	1-(5-methyl-2-pyridinyl)-1-ethanone		C₈H₉NO	详情	详情

Extended Information