1,4-dioxane-2,6-dione -Drug Synthesis Database

【结构式】

【分子编号】38871

【品名】1,4-dioxane-2,6-dione

【CA登记号】4480-83-5

【分子式】C₄H₄O₄

【分子量】116.07336

【元素组成】C 41.39% H 3.47% O 55.14%

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)

Condensation of diglycolic anhydride (I) with 1-amino-2-methylpropane-2-thiol (II) afforded amide (III). Subsequent nitrosation of the thiol group of (III) employing tert-butyl nitrite gave the nitrosothio derivative (IV). This was then condensed with 4-[2-(dimethylamino)ethoxy]-2-methyl-5-isopropylphenol (VI), prepared by basic hydrolysis of moxisylyte (V), and the resulting compound was finally converted to the succinate salt.

参考文献中间体

合成目标

【1】 Earl, R.A.; et al.; Nitrosylated alpha-adrenergic receptor antagonists as potential agents for the treatment of erectile dysfunction. 219th ACS Natl Meet (March 26 2000, San Francisco) 2000, Abst MEDI 239.
【2】 Gaston, R.D.; Saenz de Tejada, I.; Schroeder, J.D.; Shelekhin, T.E.; Garvey, D.S.; Wang, T. (NitroMed Inc.); Nitrosated and nitrosylated alpha-adrenergic receptor antagonists, compsns. and methods of use. WO 0012075 .

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)	38871	1,4-dioxane-2,6-dione	4480-83-5	C₄H₄O₄	详情	详情
(II)	38872	1-amino-2-methyl-2-propanethiol; 2-amino-1,1-dimethylethylhydrosulfide		C₄H₁₁NS	详情	详情
(III)	38873	2-[2-[(2-methyl-2-sulfanylpropyl)amino]-2-oxoethoxy]acetic acid		C₈H₁₅NO₄S	详情	详情
(IV)	38874	2-(2-[[2-methyl-2-(nitrososulfanyl)propyl]amino]-2-oxoethoxy)acetic acid		C₈H₁₄N₂O₅S	详情	详情
(V)	38875	4-[2-(dimethylamino)ethoxy]-5-isopropyl-2-methylphenyl acetate		C₁₆H₂₅NO₃	详情	详情
(VI)	38876	4-[2-(dimethylamino)ethoxy]-5-isopropyl-2-methylphenol		C₁₄H₂₃NO₂	详情	详情

Extended Information