di(tert-butyl) hydroxy(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methylphosphonate -Drug Synthesis Database

【结构式】

【分子编号】53403

【品名】di(tert-butyl) hydroxy(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methylphosphonate

【CA登记号】n/a

【分子式】C₁₉H₃₂NO₆P

【分子量】401.439982

【元素组成】C 56.85% H 8.03% N 3.49% O 23.91% P 7.72%

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)

Addition of di-tert-butyl phosphite (II) to the pyridine aldehyde (I) afforded the pyridylphosphonate (III). The tert-butyl phosphonate esters and the cyclic ketal groups of (III) were then hydrolyzed under acidic conditions to furnish the title compound.

参考文献中间体

合成目标

【1】 Haque, W. (Medicure Inc.); Cardioprotective phosphonates and malonates. WO 0164692 .

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)	28771	2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carbaldehyde		C₁₁H₁₃NO₃	详情	详情
(II)	42237	di(tert-butyl) phosphonate	13086-84-5	C₈H₁₉O₃P	详情	详情
(III)	53403	di(tert-butyl) hydroxy(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methylphosphonate	n/a	C₁₉H₃₂NO₆P	详情	详情

Extended Information