(1S)-1-(bis[[(2,2-dimethylpropanoyl)oxy]methoxy]phosphoryl)-4-(3-phenoxyphenyl)-1-butanesulfonic acid -Drug Synthesis Database

【结构式】

【分子编号】30182

【品名】(1S)-1-(bis[[(2,2-dimethylpropanoyl)oxy]methoxy]phosphoryl)-4-(3-phenoxyphenyl)-1-butanesulfonic acid

【CA登记号】

【分子式】C₂₈H₃₉O₁₁PS

【分子量】614.650822

【元素组成】C 54.72% H 6.4% O 28.63% P 5.04% S 5.22%

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：(XIX)

Finally, the target compound has been obtained as follows: The selective esterification of the phosphono group of intermediate (IX) with iodomethyl pivalate (XVIII) by means of triethylamine in DMF gives the sulfonic acid (XIX), which was purified through its calcium salt. Finally, this compound is treated with tert-butylamine in methanol to afford the target salt.

参考文献中间体

合成目标

【1】 Pendri, Y.; Chen, C.-P.; Kucera, D.J.; Martinez, E.J.; Pansegrau, P.; Thottathil, J.K.; Timmins, P. (Bristol-Myers Squibb Co.); Phosphonosulfonate squalene synthetase inhibitor salts and method. CA 2159850; EP 0710665; JP 1996208672 .

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(IX)	30173	(1S)-4-(3-phenoxyphenyl)-1-phosphono-1-butanesulfonic acid		C₁₆H₁₉O₇PS	详情	详情
(XVIII)	11159	iodomethyl pivalate		C₆H₁₁IO₂	详情	详情
(XIX)	30182	(1S)-1-(bis[[(2,2-dimethylpropanoyl)oxy]methoxy]phosphoryl)-4-(3-phenoxyphenyl)-1-butanesulfonic acid		C₂₈H₃₉O₁₁PS	详情	详情
(XX)	17895	2-Amino-2-methylpropane; tert-butylamine; 2-methyl-2-propanamine	75-64-9	C₄H₁₁N	详情	详情

Extended Information