　 -Drug Synthesis Database

【结构式】

【分子编号】36521

【品名】　

【CA登记号】

【分子式】C₄₅H₅₉NO₁₀

【分子量】773.9642

【元素组成】C 69.83% H 7.68% N 1.81% O 20.67%

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：(XII)

The esterification of myricerone ethyleneketal (IX) with 2-(diethoxyphosphoryl)acetic acid (II) by means of CDI gives the corresponding ester (X), which is condensed with the benzaldehyde (IV) by means of DBU and LiCl in DMF yielding the expected condensation product (XI). The hydrolysis of (XI) with LiOH in aqueous DME affords the free acid (XII), which is treated with HCl in THF/water to eliminate the ketal protecting group providing the target compound as free acid (XII). Finally, this compound is treated with aqueous NaOH to obtain the target sodium salt.

参考文献中间体

合成目标

【1】 Konoike, T.; et al.; Practical large-scala synthesis of endothelin receptor antagonist S-0139. Org Process Res Dev 1999, 3, 5, 347.

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(II)	36512	2-(diethoxyphosphoryl)acetic acid	3095-95-2	C₆H₁₃O₅P	详情	详情
(IV)	36514	methyl (E)-4-(2-formyl-4-hydroxyanilino)-4-oxo-2-butenoate		C₁₂H₁₁NO₅	详情	详情
(IX)	36518			C₃₂H₅₀O₅	详情	详情
(X)	36519			C₃₈H₆₁O₉P	详情	详情
(XI)	36520			C₄₆H₆₁NO₁₀	详情	详情
(XII)	36521			C₄₅H₅₉NO₁₀	详情	详情

Extended Information