3-iodo-1-propyne -Drug Synthesis Database

【结构式】

【分子编号】54581

【品名】3-iodo-1-propyne

【CA登记号】

【分子式】C₃H₃I

【分子量】165.96129

【元素组成】C 21.71% H 1.82% I 76.47%

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)

FK-778 is obtained by selective alkylation of leflunomide (I) at the methyl group with propargyl iodide (II) by means of butyl lithium in THF at 78 C to give N-(4-trifluoromethylphenyl)-5-(3-butynyl)isoxazole-4-carboxamide (III), which is finally treated with water at 0 C.

参考文献中间体

合成目标

【3】 Bartlett, R.R.; Kay, D.P.; Kuo, E.A.; Schleyerbach, R.; Schwab, W. (Aventis Pharma SA); Cyano-2-hydroxy-3-enamide derivs., process for their preparation, their use as drugs, pharmaceutical compsns. containing them and intermediates obtained. EP 0551230; JP 1993310672; US 5308865 .
【1】 Cullell-Young, M.; Castaner, R.M.; Leeson, P.A.; FK-778. Drugs Fut 2002, 27, 8, 733.
【2】 Graul, A.; Castaner, J.; Leflunomide < Rec INN >. Drugs Fut 1998, 23, 8, 827.

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(I)	54580	5-methyl-N-[4-(trifluoromethyl)phenyl]-4-isoxazolecarboxamide	C₁₂H₉F₃N₂O₂	详情	详情
(II)	54581	3-iodo-1-propyne	C₃H₃I	详情	详情
(III)	54582	5-(3-butynyl)-N-[4-(trifluoromethyl)phenyl]-4-isoxazolecarboxamide	C₁₅H₁₁F₃N₂O₂	详情	详情

Extended Information