methyl (E)-6-(3-aminophenyl)-6-(3-pyridinyl)-5-hexenoate -Drug Synthesis Database

【结构式】

【分子编号】25867

【品名】methyl (E)-6-(3-aminophenyl)-6-(3-pyridinyl)-5-hexenoate

【CA登记号】

【分子式】C₁₈H₂₀N₂O₂

【分子量】296.36908

【元素组成】C 72.95% H 6.8% N 9.45% O 10.8%

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：(I)

The reaction of (E)-6-(3-aminophenyl)-6-(3-pyridyl)-5-hexenoic acid methyl ester (I) with diphenyl N-cyanocarbinimidate (II) in isopropanol gives the N-cyanoisourea (III), which is condensed with tert-butylamine (IV) in refluxing isopropanol yielding the guanidine derivative (IV). Finally, hydrolysis of the ester group of (IV) with NaOH affords the target compound.

参考文献中间体

合成目标

【1】 Soyka, R.; et al.; Guanidine derivatives as combined thromboxane A2 receptor antagonists and synthase inhibitors. J Med Chem 1999, 42, 7, 1235.

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)	25867	methyl (E)-6-(3-aminophenyl)-6-(3-pyridinyl)-5-hexenoate		C₁₈H₂₀N₂O₂	详情	详情
(II)	25868	1-[(cyanoimino)(phenoxy)methoxy]benzene	107-37-9	C₁₄H₁₀N₂O₂	详情	详情
(III)	25869	methyl (E)-6-(3-[[(cyanoimino)(phenoxy)methyl]amino]phenyl)-6-(3-pyridinyl)-5-hexenoate		C₂₆H₂₄N₄O₃	详情	详情
(IV)	17895	2-Amino-2-methylpropane; tert-butylamine; 2-methyl-2-propanamine	75-64-9	C₄H₁₁N	详情	详情
(V)	25870	methyl (E)-6-(3-[[(tert-butylamino)(cyanoimino)methyl]amino]phenyl)-5-methyl-6-(3-pyridinyl)-5-hexenoate		C₂₅H₃₁N₅O₂	详情	详情

Extended Information