methyl 1-methyl-5-nitro-1H-imidazol-2-yl sulfide; 1-methyl-2-(methylsulfanyl)-5-nitro-1H-imidazole -Drug Synthesis Database

【结构式】

【分子编号】36226

【品名】methyl 1-methyl-5-nitro-1H-imidazol-2-yl sulfide; 1-methyl-2-(methylsulfanyl)-5-nitro-1H-imidazole

【CA登记号】

【分子式】C₅H₇N₃O₂S

【分子量】173.1956

【元素组成】C 34.67% H 4.07% N 24.26% O 18.48% S 18.51%

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：(III)

C-10213-Go has been synthesized from 1-methyl-2-mercaptoimidazole (I). When (I) is methylated with methyl iodide it gives the corresponding thiomethyl derivative (II). Nitration of (II) yields the nitro derivative (III). Oxidation of (III) with monoperphthalic acid gives the sulfone (IV). Condensation of (IV) with 1-methanesulfonyl-2-imidazolidinone (VI) in the presence of sodium hydride affords C-10213-Go.

参考文献中间体

合成目标

【1】 Arya, V.P.; Satranidazole. Drugs Fut 1983, 8, 9, 797.

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(B)	13467	Methanesulfonyl chloride;Mesyl chloride;Methylsulfonyl chloride;Methanesulfonic acid chloride;Methanesulfonyl chloride;Methanesulphonyl chloride	124-63-0	CH₃ClO₂S	详情	详情
(A)	34077	2-carboperoxybenzoic acid		C₈H₆O₅	详情	详情
(I)	18783	1-methyl-1H-imidazol-2-ylhydrosulfide; 1-methyl-1H-imidazole-2-thiol	60-56-0	C₄H₆N₂S	详情	详情
(II)	36225	1-methyl-2-(methylsulfanyl)-1H-imidazole; methyl 1-methyl-1H-imidazol-2-yl sulfide		C₅H₈N₂S	详情	详情
(III)	36226	methyl 1-methyl-5-nitro-1H-imidazol-2-yl sulfide; 1-methyl-2-(methylsulfanyl)-5-nitro-1H-imidazole		C₅H₇N₃O₂S	详情	详情
(IV)	36227	1-methyl-2-(methylsulfonyl)-5-nitro-1H-imidazole; methyl 1-methyl-5-nitro-1H-imidazol-2-yl sulfone		C₅H₇N₃O₄S	详情	详情
(V)	36228	2-imidazolidinone	120-93-4	C₃H₆N₂O	详情	详情
(VI)	36229	1-(methylsulfonyl)-2-imidazolidinone	41730-79-4	C₄H₈N₂O₃S	详情	详情

Extended Information