5-(4-fluorophenyl)-4-(4-pyridinyl)-2(1H)-pyrimidinethione -Drug Synthesis Database

【结构式】

【分子编号】59070

【品名】5-(4-fluorophenyl)-4-(4-pyridinyl)-2(1H)-pyrimidinethione

【CA登记号】

【分子式】C₁₅H₁₀FN₃S

【分子量】283.3290232

【元素组成】C 63.59% H 3.56% F 6.71% N 14.83% S 11.32%

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：(IV)

Condensation of 2-(4-fluorophenyl)-1-(4-pyridyl)ethanone (I) with dimethylformamide-dimethylacetal gives the enamino ketone (II). This is cyclized with thiourea (III) in the presence of NaOEt to produce the pyrimidine-2-thione (IV). Finally, S-alkylation of (IV) with 2-(methylsulfinyl)benzyl chloride (V) yields the target compound.

参考文献中间体

合成目标

【1】 Wagner, G.K.; Laufer, S.A.; From imidazoles to pyrimidines: New inhibitors of cytokine release. J Med Chem 2002, 45, 13, 2733.

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)	37912	2-(4-fluorophenyl)-1-(4-pyridinyl)-1-ethanone		C₁₃H₁₀FNO	详情	详情
(II)	59069	(Z)-3-(dimethylamino)-2-(4-fluorophenyl)-1-(4-pyridinyl)-2-propen-1-one		C₁₆H₁₅FN₂O	详情	详情
(III)	10180	Thiourea	62-56-6	CH₄N₂S	详情	详情
(IV)	59070	5-(4-fluorophenyl)-4-(4-pyridinyl)-2(1H)-pyrimidinethione		C₁₅H₁₀FN₃S	详情	详情
(V)	59071	2-(chloromethyl)phenyl methyl sulfoxide; [2-(chloromethyl)phenyl](methyl)oxo-lambda~4~-sulfane		C₈H₉ClOS	详情	详情

Extended Information