　 -Drug Synthesis Database

【结构式】

【分子编号】52192

【品名】　

【CA登记号】

【分子式】C₁₂H₁₅NaO₆S

【分子量】310.303268

【元素组成】C 46.45% H 4.87% Na 7.41% O 30.94% S 10.33%

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)

The Heck coupling of 4-bromobenzoic acid methyl ester (I) with 3-buten-1-ol (II) by means of Pd(OAc)2, LiOAc, LiCl and Bu4NBr in hot DMF, followed by reaction with NaHSO3 in ethanol/water/ethyl acetate, gives the bisulfite adduct (III), which is treated with Tms-Cl in acetonitrile and brominated with Br2 to yield the desired intermediate, the 2-bromo-4-[4-methoxycarbonyl)phenyl]butyraldehyde (IV).

参考文献中间体

合成目标

【1】 Kjell, D.P.; Slattery, B.J.; Improved route to multitargeted antifolate LY231514. 218th ACS Natl Meet (Aug 22 1999, New Orleans) 1999, Abst ORG 130.

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)	10168	4-Bromobenzoic acid methyl ester; methyl 4-bromobenzoate	619-42-1	C₈H₇BrO₂	详情	详情
(II)	19743	3-buten-1-ol	627-27-0	C₄H₈O	详情	详情
(III)	52192			C₁₂H₁₅NaO₆S	详情	详情
(IV)	35242	methyl 4-(3-bromo-4-oxobutyl)benzoate		C₁₂H₁₃BrO₃	详情	详情

Extended Information